A0A5K4FDU8_SCHMA Loading...

Ribosomal protein L19

AlphaFold DB , UniProt , Accession A0A5K4FDU8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 288 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M62.3Low90.2Very high248 Ų24884.7 Ų84.7100%1.22241%0.406SS*.  0131.50-77.5-169.7-167.800109.2
2S77.9Confident90.7Very high50 Ų5079.6 Ų79.635%0.3539%0.386SS..  trans-72.6144.2175.450.80000112L4S2-L4 PolarHBondContact O-N 3.37Å
3N90.8Very high91.1Very high110 Ų11078.4 Ų78.459%0.58840%0.397SS*.  trans-93.895.8-177.7-174.6-9.1000111.5R5N3-R5 VanDerWaalsContact C-N 3.32Å; N3-R5 PolarHBondContact O-N 3.38Å; N3-R5 VanDerWaalsContact OD1-CB 3.25Å; N3-R5 WeakPolarHBondContact OD1-CB 3.28Å; N3-R5 WeakPolarHBondContact OD1-CD 3.44Å; N3-R5 WeakPolarHBondContact OD1-CG 3.25Å; N3-R5 PolarHBondContact OD1-N 2.96Å
4L93.7Very high91.4Very high30 Ų3075.1 Ų75.116%0.15738%0.382CS..  trans-89.617.4-179.3-55.3-179.1000114.4S2 A6 Q7 K8 L24 T29 I32 Q33S2-L4 PolarHBondContact O-N 3.37Å; L4-A6 VanDerWaalsContact C-N 3.33Å; L4-A6 PolarHBondContact O-N 3.48Å; L4-Q7 VanDerWaalsContact CA-OE1 3.32Å; L4-Q7 PolarHBondContact O-N 2.92Å; L4-K8 WeakPolarHBondContact O-CB 3.34Å; L4-K8 PolarHBondContact O-N 3.3Å; L4-L24 HydrophobicContact CB-CD1 3.76Å; L4-L24 HydrophobicContact CD1-CD1 4.03Å; L4-T29 HydrophobicContact CD1-CG2 4.22Å; L4-I32 HydrophobicContact CD1-CG2 4.31Å; L4-I32 HydrophobicContact CD2-CG2 4.2Å; L4-Q33 HydrophobicContact CD2-CB 3.98Å
5R94.2Very high91.5Very high203 Ų20372.1 Ų72.177%0.76637%0.366SS*.Hα-helixtrans-63.8-37.5-177.6-72.3177.8-174.7-166.63.7112.2N3 R9N3-R5 VanDerWaalsContact C-N 3.32Å; N3-R5 PolarHBondContact O-N 3.38Å; N3-R5 VanDerWaalsContact OD1-CB 3.25Å; N3-R5 WeakPolarHBondContact OD1-CB 3.28Å; N3-R5 WeakPolarHBondContact OD1-CD 3.44Å; N3-R5 WeakPolarHBondContact OD1-CG 3.25Å; N3-R5 PolarHBondContact OD1-N 2.96Å; R5-R9 WeakPolarHBondContact O-CB 3.48Å; R5-R9 PolarHBondContact O-N 3.41Å
6A93.9Very high91.7Very high45 Ų4571.9 Ų71.937%0.37239%0.388SS..Hα-helixtrans-67.4-46.3179.900000111.3L4 K8 R9 L10L4-A6 VanDerWaalsContact C-N 3.33Å; L4-A6 PolarHBondContact O-N 3.48Å; A6-K8 PolarHBondContact O-N 3.49Å; A6-R9 CarbonylContact O-C 3.59Å; A6-R9 WeakPolarHBondContact O-CB 3.27Å; A6-R9 PolarHBondContact O-N 3.34Å; A6-R9 VanDerWaalsContact O-N 3.12Å; A6-L10 WeakPolarHBondContact O-CG 3.36Å; A6-L10 PolarHBondContact O-N 3.21Å
7Q95.3Very high91.8Very high11 Ų1168.5 Ų68.55%0.05137%0.37CS..Hα-helixtrans-62.4-44.2178.1-66.677.20.200110.3L4 R9 L10 A11 I32 Q33 I41L4-Q7 VanDerWaalsContact CA-OE1 3.32Å; L4-Q7 PolarHBondContact O-N 2.92Å; Q7-R9 VanDerWaalsContact C-N 3.31Å; Q7-R9 PolarHBondContact O-N 3.3Å; Q7-L10 PolarHBondContact O-N 3.45Å; Q7-A11 VanDerWaalsContact O-CB 3.27Å; Q7-A11 WeakPolarHBondContact O-CB 3.31Å; Q7-A11 PolarHBondContact O-N 2.85Å; Q7-I32 HydrophobicContact CB-CG2 4.11Å; Q7-I32 HydrophobicContact CG-CG2 4.13Å; Q7-I32 WeakPolarHBondContact CG-O 3.17Å; Q7-Q33 PolarHBondContact NE2-O 3.49Å; Q7-I41 HydrophobicContact CB-CD1 4.11Å; Q7-I41 HydrophobicContact CG-CD1 4.34Å
8K95.8Very high92Very high80 Ų8067.3 Ų67.335%0.34838%0.376SS..Hα-helixtrans-62.4-37174.4-162.2165.5-171.91670112.4L4 A6 S12 K19 I22 L24L4-K8 WeakPolarHBondContact O-CB 3.34Å; L4-K8 PolarHBondContact O-N 3.3Å; A6-K8 PolarHBondContact O-N 3.49Å; K8-S12 WeakPolarHBondContact O-CB 3.4Å; K8-S12 PolarHBondContact O-N 2.73Å; K8-S12 VanDerWaalsContact O-N 3.16Å; K8-K19 WeakPolarHBondContact CE-O 3.37Å; K8-K19 HydrophobicContact CG-CB 4.47Å; K8-I22 HydrophobicContact CG-CB 4.35Å; K8-I22 HydrophobicContact CG-CD1 4.27Å; K8-I22 HydrophobicContact CG-CG2 4.38Å; K8-I22 WeakPolarHBondContact O-CD1 3.32Å; K8-L24 HydrophobicContact CB-CD1 4.17Å
9R96.2Very high92.2Very high134 Ų13469.7 Ų69.751%0.50638%0.383SS..Hα-helixtrans-67.8-44.7174-179.4-176.163.883.50.2111.5R5 A6 Q7 S12 A13R5-R9 WeakPolarHBondContact O-CB 3.48Å; R5-R9 PolarHBondContact O-N 3.41Å; A6-R9 CarbonylContact O-C 3.59Å; A6-R9 WeakPolarHBondContact O-CB 3.27Å; A6-R9 PolarHBondContact O-N 3.34Å; A6-R9 VanDerWaalsContact O-N 3.12Å; Q7-R9 VanDerWaalsContact C-N 3.31Å; Q7-R9 PolarHBondContact O-N 3.3Å; R9-S12 WeakPolarHBondContact O-CB 3.34Å; R9-S12 PolarHBondContact O-N 3.46Å; R9-A13 PolarHBondContact O-N 2.92Å; R9-A13 VanDerWaalsContact O-N 3.15Å
10L95.8Very high92.3Very high21 Ų2175.6 Ų75.611%0.1140%0.404CS..Hα-helixtrans-64.2-45.7178.2-70.9175.1000111.5A6 Q7 S12 A13 V14 R38 I41A6-L10 WeakPolarHBondContact O-CG 3.36Å; A6-L10 PolarHBondContact O-N 3.21Å; Q7-L10 PolarHBondContact O-N 3.45Å; L10-S12 PolarHBondContact O-N 2.82Å; L10-A13 PolarHBondContact O-N 3.5Å; L10-V14 WeakPolarHBondContact O-CB 3.33Å; L10-V14 VanDerWaalsContact O-CG2 3.23Å; L10-V14 WeakPolarHBondContact O-CG2 3.41Å; L10-V14 PolarHBondContact O-N 2.9Å; L10-R38 HydrophobicContact CD2-CG 4.12Å; L10-I41 HydrophobicContact CB-CD1 4.42Å; L10-I41 HydrophobicContact CB-CG1 3.92Å; L10-I41 HydrophobicContact CD1-CG1 4.36Å
11A96.4Very high92.5Very high0 Ų074.3 Ų74.30%040%0.395CS..Hα-helixtrans-56.2-39.5173.800000112.1Q7 V14 F15 I22 I41 I50Q7-A11 VanDerWaalsContact O-CB 3.27Å; Q7-A11 WeakPolarHBondContact O-CB 3.31Å; Q7-A11 PolarHBondContact O-N 2.85Å; A11-V14 PolarHBondContact O-N 2.91Å; A11-F15 HydrophobicContact CB-CD2 4.22Å; A11-F15 HydrophobicContact CB-CE2 3.72Å; A11-F15 HydrophobicContact CB-CZ 4.36Å; A11-F15 WeakPolarHBondContact O-CB 3.41Å; A11-F15 WeakPolarHBondContact O-CD2 3.29Å; A11-F15 VanDerWaalsContact O-CG 3.28Å; A11-F15 WeakPolarHBondContact O-CG 3.38Å; A11-F15 PolarHBondContact O-N 2.99Å; A11-I22 HydrophobicContact CB-CD1 3.86Å; A11-I22 HydrophobicContact CB-CG1 4.43Å; A11-I22 HydrophobicContact CB-CG2 3.85Å; A11-I41 HydrophobicContact CB-CG2 3.84Å; A11-I50 HydrophobicContact CB-CD1 4.47Å; A11-I50 HydrophobicContact CB-CG2 4.09Å
12S96.7Very high94.1Very high23 Ų2362.6 Ų62.616%0.16134%0.337CS..Hα-helixtrans-62.2-47.3177.8-1650000111.6K8 R9 L10 G16 C17 K19 I22K8-S12 WeakPolarHBondContact O-CB 3.4Å; K8-S12 PolarHBondContact O-N 2.73Å; K8-S12 VanDerWaalsContact O-N 3.16Å; R9-S12 WeakPolarHBondContact O-CB 3.34Å; R9-S12 PolarHBondContact O-N 3.46Å; L10-S12 PolarHBondContact O-N 2.82Å; S12-G16 PolarHBondContact O-N 3.33Å; S12-G16 VanDerWaalsContact O-N 3.16Å; S12-C17 WeakPolarHBondContact CA-O 3.49Å; S12-C17 WeakPolarHBondContact CB-O 3.37Å; S12-C17 PolarHBondContact O-N 3.08Å; S12-C17 PolarHBondContact OG-O 3.41Å; S12-K19 PolarHBondContact OG-N 2.94Å; S12-I22 VanDerWaalsContact CB-CD1 3.48Å
13A95.3Very high95Very high64 Ų6464.4 Ų64.453%0.52934%0.336SS..Hα-helixtrans-66.9-37.4178.300000112.1R9 L10R9-A13 PolarHBondContact O-N 2.92Å; R9-A13 VanDerWaalsContact O-N 3.15Å; L10-A13 PolarHBondContact O-N 3.5Å
14V95.2Very high95.2Very high32 Ų3260.5 Ų60.519%0.19432%0.316CS..Hα-helixtrans-72.7-40.3-178.61700000112.1L10 A11 R38 I41 R42L10-V14 WeakPolarHBondContact O-CB 3.33Å; L10-V14 VanDerWaalsContact O-CG2 3.23Å; L10-V14 WeakPolarHBondContact O-CG2 3.41Å; L10-V14 PolarHBondContact O-N 2.9Å; A11-V14 PolarHBondContact O-N 2.91Å; V14-R38 HydrophobicContact CG2-CB 3.79Å; V14-R38 HydrophobicContact CG2-CG 3.83Å; V14-I41 HydrophobicContact CB-CG2 4.37Å; V14-I41 HydrophobicContact CG2-CG2 4.35Å; V14-R42 HydrophobicContact CG1-CG 3.47Å; V14-R42 VanDerWaalsContact CG1-CG 3.47Å
15F92.8Very high95.2Very high31 Ų3160.4 Ų60.414%0.13632%0.315CS..Hα-helixtrans-90.1-5.3-177.6-53.8-36.6000114.6A11 C17 I41 F45 I50A11-F15 HydrophobicContact CB-CD2 4.22Å; A11-F15 HydrophobicContact CB-CE2 3.72Å; A11-F15 HydrophobicContact CB-CZ 4.36Å; A11-F15 WeakPolarHBondContact O-CB 3.41Å; A11-F15 WeakPolarHBondContact O-CD2 3.29Å; A11-F15 VanDerWaalsContact O-CG 3.28Å; A11-F15 WeakPolarHBondContact O-CG 3.38Å; A11-F15 PolarHBondContact O-N 2.99Å; F15-C17 PolarHBondContact O-N 3.38Å; F15-I41 HydrophobicContact CZ-CG2 4.31Å; F15-F45 HydrophobicContact CD1-CD2 4.04Å; F15-F45 HydrophobicContact CD1-CE2 4.37Å; F15-F45 HydrophobicContact CD1-CG 4.27Å; F15-F45 HydrophobicContact CE1-CB 3.51Å; F15-F45 HydrophobicContact CE1-CD1 4.18Å; F15-F45 AromaticContact CE1-CD2 3.36Å; F15-F45 HydrophobicContact CE1-CD2 3.36Å; F15-F45 HydrophobicContact CE1-CE2 4.12Å; F15-F45 AromaticContact CE1-CG 3.39Å; F15-F45 HydrophobicContact CE1-CG 3.39Å; F15-F45 AromaticContact CE2-CD2 3.95Å; F15-F45 HydrophobicContact CE2-CD2 3.95Å; F15-F45 HydrophobicContact CZ-CB 3.56Å; F15-F45 AromaticContact CZ-CD2 3.32Å; F15-F45 HydrophobicContact CZ-CD2 3.32Å; F15-F45 HydrophobicContact CZ-CE2 4.26Å; F15-F45 AromaticContact CZ-CG 3.66Å; F15-F45 HydrophobicContact CZ-CG 3.66Å; F15-I50 HydrophobicContact CE2-CB 4.49Å; F15-I50 HydrophobicContact CE2-CG2 3.5Å; F15-I50 HydrophobicContact CZ-CB 4.43Å; F15-I50 HydrophobicContact CZ-CG2 3.89Å
16G94.5Very high95.2Very high69 Ų6954.7 Ų54.771%0.71130%0.304SS*.THydrogen-bonded Turntrans61.331.7-17500000113.1S12S12-G16 PolarHBondContact O-N 3.33Å; S12-G16 VanDerWaalsContact O-N 3.16Å
17C94.4Very high95.2Very high13 Ų1359.1 Ų59.19%0.08832%0.322CS..SBendtrans-127.1153.6178.574.10000110.6S12 F15 K21S12-C17 WeakPolarHBondContact CA-O 3.49Å; S12-C17 WeakPolarHBondContact CB-O 3.37Å; S12-C17 PolarHBondContact O-N 3.08Å; S12-C17 PolarHBondContact OG-O 3.41Å; F15-C17 PolarHBondContact O-N 3.38Å; C17-K21 HydrophobicContact CB-CB 4.28Å
18G94.5Very high95.1Very high47 Ų4762.4 Ų62.449%0.48534%0.337SS..  trans-67.6152178.500000112.5K20 K21G18-K20 PolarHBondContact O-N 3.45Å; G18-K21 PolarHBondContact O-N 2.88Å
19K95.7Very high95.1Very high114 Ų11461 Ų6150%0.49634%0.335SS..G310 helixtrans-49.2-29.6-179.2-63.2177.4-176173.20114.5K8 S12 K21 I22K8-K19 WeakPolarHBondContact CE-O 3.37Å; K8-K19 HydrophobicContact CG-CB 4.47Å; S12-K19 PolarHBondContact OG-N 2.94Å; K19-K21 VanDerWaalsContact C-N 3.25Å; K19-K21 PolarHBondContact O-N 3.12Å; K19-I22 PolarHBondContact O-N 3.06Å
20K95.4Very high94.9Very high187 Ų18757.6 Ų57.681%0.81334%0.336SS*.G310 helixtrans-65.9-23.6177.4-169.3171.9-177.8172.90113.5G18G18-K20 PolarHBondContact O-N 3.45Å
21K96Very high94.8Very high49 Ų4959.4 Ų59.421%0.21335%0.348CS..G310 helixtrans-93.44.7179.2-64.7-60.1179.9-170.60113.7C17 G18 K19 R52 K53 P54 T56C17-K21 HydrophobicContact CB-CB 4.28Å; G18-K21 PolarHBondContact O-N 2.88Å; K19-K21 VanDerWaalsContact C-N 3.25Å; K19-K21 PolarHBondContact O-N 3.12Å; K21-R52 CarbonylContact O-C 3.21Å; K21-R52 WeakPolarHBondContact O-CA 3.45Å; K21-K53 HydrophobicContact CD-CB 4.4Å; K21-K53 PolarHBondContact O-N 3.45Å; K21-P54 PolarHBondContact NZ-O 3.37Å; K21-T56 PolarHBondContact NZ-OG1 2.84Å
22I96.2Very high94.7Very high2 Ų259.4 Ų59.41%0.0135%0.348CS..EExtended strand (participates in β ladder)trans-100.8125.4177.8-55.9163.5000108.2K8 A11 S12 K19 L24 I50K8-I22 HydrophobicContact CG-CB 4.35Å; K8-I22 HydrophobicContact CG-CD1 4.27Å; K8-I22 HydrophobicContact CG-CG2 4.38Å; K8-I22 WeakPolarHBondContact O-CD1 3.32Å; A11-I22 HydrophobicContact CB-CD1 3.86Å; A11-I22 HydrophobicContact CB-CG1 4.43Å; A11-I22 HydrophobicContact CB-CG2 3.85Å; S12-I22 VanDerWaalsContact CB-CD1 3.48Å; K19-I22 PolarHBondContact O-N 3.06Å; I22-L24 HydrophobicContact CG2-CD2 4.06Å; I22-L24 HydrophobicContact CG2-CG 4.47Å; I22-I50 HydrophobicContact CG2-CG2 3.7Å
23W95.6Very high94.6Very high87 Ų8762.5 Ų62.533%0.3336%0.36SS..EExtended strand (participates in β ladder)trans-102.8133.4166.3-173.679.2000108.5D25 I50 I51 K53W23-D25 HydrophobicContact CH2-CB 3.73Å; W23-D25 HydrophobicContact CZ3-CB 3.74Å; W23-I50 WeakPolarHBondContact O-CA 3.34Å; W23-I51 HydrophobicContact CB-CB 4.27Å; W23-I51 HydrophobicContact CE3-CB 3.97Å; W23-I51 HydrophobicContact CE3-CD1 3.68Å; W23-I51 HydrophobicContact CE3-CG1 3.78Å; W23-I51 HydrophobicContact CZ3-CD1 3.71Å; W23-I51 HydrophobicContact CZ3-CG1 4.13Å; W23-I51 PolarHBondContact N-O 2.88Å; W23-I51 PolarHBondContact O-N 3.31Å; W23-K53 HydrophobicContact CB-CD 4.34Å; W23-K53 VanDerWaalsContact CB-CE 3.48Å; W23-K53 HydrophobicContact CB-CG 3.89Å
24L95.3Very high94.5Very high29 Ų2964.5 Ų64.515%0.15236%0.362CS..EExtended strand (participates in β ladder)trans-112.4133.7172.1-60.7178.9000105.8L4 K8 I22 P26 I32 I50L4-L24 HydrophobicContact CB-CD1 3.76Å; L4-L24 HydrophobicContact CD1-CD1 4.03Å; K8-L24 HydrophobicContact CB-CD1 4.17Å; I22-L24 HydrophobicContact CG2-CD2 4.06Å; I22-L24 HydrophobicContact CG2-CG 4.47Å; L24-P26 WeakPolarHBondContact O-CD 3.49Å; L24-I32 HydrophobicContact CB-CD1 4.06Å; L24-I32 HydrophobicContact CD2-CG2 4.23Å; L24-I50 HydrophobicContact CD2-CB 4.35Å; L24-I50 HydrophobicContact CD2-CD1 3.78Å; L24-I50 HydrophobicContact CD2-CG1 3.65Å; L24-I50 HydrophobicContact CD2-CG2 3.95Å
25D94.7Very high94.5Very high27 Ų2763 Ų6314%0.14435%0.353CS..  trans-63.3122178.1-167.1-23.3000111W23 N27 E28 I32 L49W23-D25 HydrophobicContact CH2-CB 3.73Å; W23-D25 HydrophobicContact CZ3-CB 3.74Å; D25-N27 VanDerWaalsContact C-N 3.28Å; D25-N27 PolarHBondContact O-N 3.35Å; D25-N27 WeakPolarHBondContact OD1-CB 3.45Å; D25-N27 PolarHBondContact OD1-N 2.83Å; D25-E28 HydrophobicContact CB-CB 4.2Å; D25-I32 HydrophobicContact CB-CD1 4.14Å; D25-L49 PolarHBondContact N-O 3.14Å
26P94.5Very high94.5Very high83 Ų8367.5 Ų67.554%0.53938%0.378SS..SBendtrans-70.5-20.6177.329.6-35.8000113.8L24 T29L24-P26 WeakPolarHBondContact O-CD 3.49Å; P26-T29 WeakPolarHBondContact O-CG2 3.3Å
27N93.6Very high94.5Very high139 Ų13967.1 Ų67.174%0.74336%0.364SS*.SBendtrans-81.6-37.6-179.9-61.8-24.6000110.9D25 T29D25-N27 VanDerWaalsContact C-N 3.28Å; D25-N27 PolarHBondContact O-N 3.35Å; D25-N27 WeakPolarHBondContact OD1-CB 3.45Å; D25-N27 PolarHBondContact OD1-N 2.83Å; N27-T29 VanDerWaalsContact C-N 3.32Å; N27-T29 PolarHBondContact O-N 3.34Å
28E93.5Very high94.6Very high79 Ų7973.5 Ų73.537%0.36939%0.387SS..SBendtrans-95.735.9-176.5-69.6-65.5157.600113.2D25 A30 T31 I32 L49D25-E28 HydrophobicContact CB-CB 4.2Å; E28-A30 VanDerWaalsContact C-N 3.32Å; E28-A30 PolarHBondContact O-N 3.22Å; E28-T31 PolarHBondContact O-N 2.99Å; E28-T31 WeakPolarHBondContact OE2-CB 3.43Å; E28-T31 PolarHBondContact OE2-OG1 3.46Å; E28-I32 VanDerWaalsContact O-CG1 3.32Å; E28-I32 WeakPolarHBondContact O-CG1 3.2Å; E28-I32 PolarHBondContact O-N 2.85Å; E28-L49 HydrophobicContact CB-CD1 4.38Å; E28-L49 HydrophobicContact CB-CD2 3.91Å; E28-L49 HydrophobicContact CG-CD2 3.67Å
29T94.3Very high94.7Very high50 Ų5079.2 Ų79.231%0.30740%0.398SS..Hα-helixtrans-62.6-37-175.751.50000112.9L4 P26 N27 Q33L4-T29 HydrophobicContact CD1-CG2 4.22Å; P26-T29 WeakPolarHBondContact O-CG2 3.3Å; N27-T29 VanDerWaalsContact C-N 3.32Å; N27-T29 PolarHBondContact O-N 3.34Å; T29-Q33 VanDerWaalsContact O-CB 3.24Å; T29-Q33 WeakPolarHBondContact O-CB 3.5Å; T29-Q33 PolarHBondContact O-N 3.16Å
30A92.5Very high94.7Very high64 Ų6477.8 Ų77.853%0.52940%0.395SS..Hα-helixtrans-64.9-45.2176.300000111.5E28 I32 Q33 N34E28-A30 VanDerWaalsContact C-N 3.32Å; E28-A30 PolarHBondContact O-N 3.22Å; A30-I32 PolarHBondContact O-N 2.87Å; A30-Q33 PolarHBondContact O-N 3.06Å; A30-N34 PolarHBondContact O-N 2.89Å
31T93.6Very high94.8Very high59 Ų5968.9 Ų68.936%0.36236%0.356SS..Hα-helixtrans-62.1-44177.2-53.80000111.5E28 L44 L49E28-T31 PolarHBondContact O-N 2.99Å; E28-T31 WeakPolarHBondContact OE2-CB 3.43Å; E28-T31 PolarHBondContact OE2-OG1 3.46Å; T31-L44 HydrophobicContact CG2-CD2 4.11Å; T31-L49 HydrophobicContact CG2-CD1 3.82Å
32I95.3Very high94.8Very high0 Ų073.8 Ų73.80%037%0.373CS..Hα-helixtrans-67.5-40177.3-64.5170.4000111L4 Q7 L24 D25 E28 A30 N34 A35 L44 L49L4-I32 HydrophobicContact CD1-CG2 4.31Å; L4-I32 HydrophobicContact CD2-CG2 4.2Å; Q7-I32 HydrophobicContact CB-CG2 4.11Å; Q7-I32 HydrophobicContact CG-CG2 4.13Å; Q7-I32 WeakPolarHBondContact CG-O 3.17Å; L24-I32 HydrophobicContact CB-CD1 4.06Å; L24-I32 HydrophobicContact CD2-CG2 4.23Å; D25-I32 HydrophobicContact CB-CD1 4.14Å; E28-I32 VanDerWaalsContact O-CG1 3.32Å; E28-I32 WeakPolarHBondContact O-CG1 3.2Å; E28-I32 PolarHBondContact O-N 2.85Å; A30-I32 PolarHBondContact O-N 2.87Å; I32-N34 VanDerWaalsContact C-N 3.26Å; I32-N34 PolarHBondContact O-N 3.25Å; I32-A35 WeakPolarHBondContact O-CB 3.42Å; I32-A35 PolarHBondContact O-N 2.84Å; I32-L44 HydrophobicContact CB-CD1 4.44Å; I32-L44 HydrophobicContact CG1-CD1 4.21Å; I32-L44 HydrophobicContact CG2-CD1 4.48Å; I32-L49 HydrophobicContact CG1-CB 4.49Å
33Q94.4Very high94.8Very high88 Ų8880.4 Ų80.441%0.41140%0.402SS..Hα-helixtrans-57.6-39.7180179.3174.4-22.800112.1L4 Q7 T29 A30 A35L4-Q33 HydrophobicContact CD2-CB 3.98Å; Q7-Q33 PolarHBondContact NE2-O 3.49Å; T29-Q33 VanDerWaalsContact O-CB 3.24Å; T29-Q33 WeakPolarHBondContact O-CB 3.5Å; T29-Q33 PolarHBondContact O-N 3.16Å; A30-Q33 PolarHBondContact O-N 3.06Å; Q33-A35 PolarHBondContact O-N 3.42Å
34N93Very high94.8Very high106 Ų10676.8 Ų76.857%0.56739%0.389SS*.THydrogen-bonded Turntrans-70-9.3-179.9-66.8-18.4000113.8A30 I32 N36 M40A30-N34 PolarHBondContact O-N 2.89Å; I32-N34 VanDerWaalsContact C-N 3.26Å; I32-N34 PolarHBondContact O-N 3.25Å; N34-N36 PolarHBondContact O-N 3.38Å; N34-N36 VanDerWaalsContact O-N 3.16Å; N34-M40 VanDerWaalsContact O-CE 3.29Å; N34-M40 WeakPolarHBondContact O-CE 3.46Å
35A94.1Very high94.7Very high1 Ų179.8 Ų79.81%0.00840%0.401CS..  trans-84.287.7-179.100000113.7I32 Q33 M40 I41 L44I32-A35 WeakPolarHBondContact O-CB 3.42Å; I32-A35 PolarHBondContact O-N 2.84Å; Q33-A35 PolarHBondContact O-N 3.42Å; A35-M40 HydrophobicContact CB-CB 3.78Å; A35-M40 HydrophobicContact CB-CE 4.34Å; A35-I41 HydrophobicContact CB-CD1 4.03Å; A35-L44 HydrophobicContact CB-CD1 3.41Å; A35-L44 VanDerWaalsContact CB-CD1 3.41Å; A35-L44 HydrophobicContact CB-CG 4.34Å
36N93.6Very high94.7Very high125 Ų12587 Ų8767%0.66843%0.431SS*.  trans-91.5-14.1-177-64.6-34.8000114.8N34N34-N36 PolarHBondContact O-N 3.38Å; N34-N36 VanDerWaalsContact O-N 3.16Å
37S95.1Very high94.8Very high60 Ų6086.7 Ų86.742%0.4243%0.425SS..SBendtrans-110.5149.1-178.11750000112.5K39 M40 I41S37-K39 PolarHBondContact O-N 3.04Å; S37-K39 VanDerWaalsContact O-N 3.16Å; S37-K39 PolarHBondContact OG-N 3.18Å; S37-M40 PolarHBondContact O-N 3.02Å; S37-I41 WeakPolarHBondContact O-CG1 3.49Å; S37-I41 PolarHBondContact O-N 3.36Å
38R96.2Very high94.8Very high147 Ų14785.4 Ų85.456%0.55542%0.418SS*.Hα-helixtrans-54.2-32.5170.2-67.2-178.6-176.1158.80.5112L10 V14 I41 R42L10-R38 HydrophobicContact CD2-CG 4.12Å; V14-R38 HydrophobicContact CG2-CB 3.79Å; V14-R38 HydrophobicContact CG2-CG 3.83Å; R38-I41 PolarHBondContact O-N 3.38Å; R38-R42 WeakPolarHBondContact O-CG 3.47Å; R38-R42 PolarHBondContact O-N 3.05Å; R38-R42 VanDerWaalsContact O-N 3.08Å
39K96Very high94.8Very high167 Ų16783 Ų8373%0.72641%0.407SS*.Hα-helixtrans-63.8-43.6175.8-174.1-179.9178-177.80111.5S37 R42 K43S37-K39 PolarHBondContact O-N 3.04Å; S37-K39 VanDerWaalsContact O-N 3.16Å; S37-K39 PolarHBondContact OG-N 3.18Å; K39-R42 PolarHBondContact O-N 3.12Å; K39-K43 PolarHBondContact O-N 2.96Å; K39-K43 VanDerWaalsContact O-N 3.15Å
40M96.2Very high94.9Very high85 Ų8580.6 Ų80.642%0.41939%0.393SS..Hα-helixtrans-68-40.7177.1-64.4178.477.600111.6N34 A35 S37 R42 K43 L44N34-M40 VanDerWaalsContact O-CE 3.29Å; N34-M40 WeakPolarHBondContact O-CE 3.46Å; A35-M40 HydrophobicContact CB-CB 3.78Å; A35-M40 HydrophobicContact CB-CE 4.34Å; S37-M40 PolarHBondContact O-N 3.02Å; M40-R42 VanDerWaalsContact C-N 3.27Å; M40-R42 PolarHBondContact O-N 3Å; M40-K43 WeakPolarHBondContact O-CA 3.44Å; M40-K43 WeakPolarHBondContact O-CB 3.4Å; M40-K43 PolarHBondContact O-N 3.4Å; M40-L44 WeakPolarHBondContact O-CG 3.46Å; M40-L44 PolarHBondContact O-N 3.26Å
41I96.7Very high95Very high0 Ų080.9 Ų80.90%039%0.385CS..Hα-helixtrans-59.7-37174.7-63.1-66.8000112Q7 L10 A11 V14 F15 A35 S37 R38 L44 F45 I50Q7-I41 HydrophobicContact CB-CD1 4.11Å; Q7-I41 HydrophobicContact CG-CD1 4.34Å; L10-I41 HydrophobicContact CB-CD1 4.42Å; L10-I41 HydrophobicContact CB-CG1 3.92Å; L10-I41 HydrophobicContact CD1-CG1 4.36Å; A11-I41 HydrophobicContact CB-CG2 3.84Å; V14-I41 HydrophobicContact CB-CG2 4.37Å; V14-I41 HydrophobicContact CG2-CG2 4.35Å; F15-I41 HydrophobicContact CZ-CG2 4.31Å; A35-I41 HydrophobicContact CB-CD1 4.03Å; S37-I41 WeakPolarHBondContact O-CG1 3.49Å; S37-I41 PolarHBondContact O-N 3.36Å; R38-I41 PolarHBondContact O-N 3.38Å; I41-L44 HydrophobicContact CD1-CD1 4.41Å; I41-L44 PolarHBondContact O-N 3.06Å; I41-F45 PolarHBondContact O-N 3.08Å; I41-F45 VanDerWaalsContact O-N 3.1Å; I41-I50 HydrophobicContact CD1-CD1 3.91Å; I41-I50 HydrophobicContact CG2-CD1 4.25Å
42R96.2Very high95Very high151 Ų15184.4 Ų84.457%0.5739%0.391SS*.Hα-helixtrans-66-36.2172.4-70.9177-174.3135.1-2.6112.6V14 R38 K39 M40 F45 K46V14-R42 HydrophobicContact CG1-CG 3.47Å; V14-R42 VanDerWaalsContact CG1-CG 3.47Å; R38-R42 WeakPolarHBondContact O-CG 3.47Å; R38-R42 PolarHBondContact O-N 3.05Å; R38-R42 VanDerWaalsContact O-N 3.08Å; K39-R42 PolarHBondContact O-N 3.12Å; M40-R42 VanDerWaalsContact C-N 3.27Å; M40-R42 PolarHBondContact O-N 3Å; R42-F45 WeakPolarHBondContact O-CB 3.4Å; R42-F45 PolarHBondContact O-N 2.99Å; R42-K46 PolarHBondContact O-N 3.41Å
43K96.1Very high95Very high141 Ų14188.8 Ų88.861%0.61341%0.41SS*.Hα-helixtrans-63.9-50.1173.7-174-176.6174.6-174.50110.6K39 M40 F45 K46 D47K39-K43 PolarHBondContact O-N 2.96Å; K39-K43 VanDerWaalsContact O-N 3.15Å; M40-K43 WeakPolarHBondContact O-CA 3.44Å; M40-K43 WeakPolarHBondContact O-CB 3.4Å; M40-K43 PolarHBondContact O-N 3.4Å; K43-F45 PolarHBondContact O-N 2.83Å; K43-F45 VanDerWaalsContact O-N 3.16Å; K43-K46 WeakPolarHBondContact O-CA 3.37Å; K43-K46 WeakPolarHBondContact O-CB 3.35Å; K43-K46 PolarHBondContact O-N 2.92Å; K43-D47 WeakPolarHBondContact CG-OD2 3.42Å; K43-D47 PolarHBondContact O-N 3.19Å
44L95.6Very high95.1Very high12 Ų1289.9 Ų89.96%0.06343%0.425CS..Hα-helixtrans-59.5-29.3177.6-64.9178.7000113.7T31 I32 A35 M40 I41 N48 L49 I50T31-L44 HydrophobicContact CG2-CD2 4.11Å; I32-L44 HydrophobicContact CB-CD1 4.44Å; I32-L44 HydrophobicContact CG1-CD1 4.21Å; I32-L44 HydrophobicContact CG2-CD1 4.48Å; A35-L44 HydrophobicContact CB-CD1 3.41Å; A35-L44 VanDerWaalsContact CB-CD1 3.41Å; A35-L44 HydrophobicContact CB-CG 4.34Å; M40-L44 WeakPolarHBondContact O-CG 3.46Å; M40-L44 PolarHBondContact O-N 3.26Å; I41-L44 HydrophobicContact CD1-CD1 4.41Å; I41-L44 PolarHBondContact O-N 3.06Å; L44-N48 PolarHBondContact O-N 3.42Å; L44-L49 HydrophobicContact CB-CB 4.32Å; L44-L49 HydrophobicContact CD2-CB 4.22Å; L44-L49 HydrophobicContact CD2-CD1 3.58Å; L44-L49 HydrophobicContact CD2-CG 4.44Å; L44-L49 PolarHBondContact O-N 3.32Å; L44-I50 HydrophobicContact CB-CD1 3.86Å; L44-I50 HydrophobicContact CB-CG1 3.89Å; L44-I50 HydrophobicContact CD1-CD1 3.78Å; L44-I50 HydrophobicContact CD1-CG1 4.31Å; L44-I50 PolarHBondContact O-N 3.24Å
45F93.9Very high95.2Very high91 Ų9190 Ų9040%0.39943%0.429SS..Hα-helixtrans-68.1-43.1171.9-177.7-104.4000112.4F15 I41 R42 K43 D47 N48 I50 R52F15-F45 HydrophobicContact CD1-CD2 4.04Å; F15-F45 HydrophobicContact CD1-CE2 4.37Å; F15-F45 HydrophobicContact CD1-CG 4.27Å; F15-F45 HydrophobicContact CE1-CB 3.51Å; F15-F45 HydrophobicContact CE1-CD1 4.18Å; F15-F45 AromaticContact CE1-CD2 3.36Å; F15-F45 HydrophobicContact CE1-CD2 3.36Å; F15-F45 HydrophobicContact CE1-CE2 4.12Å; F15-F45 AromaticContact CE1-CG 3.39Å; F15-F45 HydrophobicContact CE1-CG 3.39Å; F15-F45 AromaticContact CE2-CD2 3.95Å; F15-F45 HydrophobicContact CE2-CD2 3.95Å; F15-F45 HydrophobicContact CZ-CB 3.56Å; F15-F45 AromaticContact CZ-CD2 3.32Å; F15-F45 HydrophobicContact CZ-CD2 3.32Å; F15-F45 HydrophobicContact CZ-CE2 4.26Å; F15-F45 AromaticContact CZ-CG 3.66Å; F15-F45 HydrophobicContact CZ-CG 3.66Å; I41-F45 PolarHBondContact O-N 3.08Å; I41-F45 VanDerWaalsContact O-N 3.1Å; R42-F45 WeakPolarHBondContact O-CB 3.4Å; R42-F45 PolarHBondContact O-N 2.99Å; K43-F45 PolarHBondContact O-N 2.83Å; K43-F45 VanDerWaalsContact O-N 3.16Å; F45-D47 VanDerWaalsContact C-N 3.27Å; F45-D47 PolarHBondContact O-N 3.03Å; F45-N48 PolarHBondContact O-N 2.82Å; F45-I50 VanDerWaalsContact CD2-O 3.26Å; F45-I50 WeakPolarHBondContact CD2-O 3.47Å; F45-R52 HydrophobicContact CE2-CB 4.31Å
46K95Very high95.2Very high178 Ų17894.2 Ų94.277%0.77446%0.455SS*.Hα-helixtrans-65.5-35.8177.8-169.2179.4179.5-176.10111.2R42 K43 N48R42-K46 PolarHBondContact O-N 3.41Å; K43-K46 WeakPolarHBondContact O-CA 3.37Å; K43-K46 WeakPolarHBondContact O-CB 3.35Å; K43-K46 PolarHBondContact O-N 2.92Å; K46-N48 PolarHBondContact O-N 3.07Å
47D94.9Very high95.3Very high78 Ų7894.4 Ų94.442%0.41746%0.461SS..THydrogen-bonded Turntrans-825.2177.9-55.7-16.5000112.4K43 F45 L49K43-D47 WeakPolarHBondContact CG-OD2 3.42Å; K43-D47 PolarHBondContact O-N 3.19Å; F45-D47 VanDerWaalsContact C-N 3.27Å; F45-D47 PolarHBondContact O-N 3.03Å; D47-L49 HydrophobicContact CB-CG 4.37Å; D47-L49 PolarHBondContact O-N 2.92Å; D47-L49 VanDerWaalsContact O-N 3.16Å
48N94.1Very high95.4Very high112 Ų11299.3 Ų99.360%0.59948%0.477SS*.THydrogen-bonded Turntrans6112.5-179.1-60.1-55.5000116.6L44 F45 K46 I50 I51L44-N48 PolarHBondContact O-N 3.42Å; F45-N48 PolarHBondContact O-N 2.82Å; K46-N48 PolarHBondContact O-N 3.07Å; N48-I50 VanDerWaalsContact C-N 3.3Å; N48-I51 WeakPolarHBondContact O-CG1 3.47Å
49L94.9Very high95.4Very high28 Ų2896.2 Ų96.215%0.14748%0.477CS..SBendtrans-74-23.4174.5-60.5-176.1000112.9D25 E28 T31 I32 L44 D47D25-L49 PolarHBondContact N-O 3.14Å; E28-L49 HydrophobicContact CB-CD1 4.38Å; E28-L49 HydrophobicContact CB-CD2 3.91Å; E28-L49 HydrophobicContact CG-CD2 3.67Å; T31-L49 HydrophobicContact CG2-CD1 3.82Å; I32-L49 HydrophobicContact CG1-CB 4.49Å; L44-L49 HydrophobicContact CB-CB 4.32Å; L44-L49 HydrophobicContact CD2-CB 4.22Å; L44-L49 HydrophobicContact CD2-CD1 3.58Å; L44-L49 HydrophobicContact CD2-CG 4.44Å; L44-L49 PolarHBondContact O-N 3.32Å; D47-L49 HydrophobicContact CB-CG 4.37Å; D47-L49 PolarHBondContact O-N 2.92Å; D47-L49 VanDerWaalsContact O-N 3.16Å
50I95.2Very high95.4Very high0 Ų096 Ų960%047%0.472CS..EExtended strand (participates in β ladder)trans-122.9117.6170.8-56.7-178.1000108.6A11 F15 I22 W23 L24 I41 L44 F45 N48A11-I50 HydrophobicContact CB-CD1 4.47Å; A11-I50 HydrophobicContact CB-CG2 4.09Å; F15-I50 HydrophobicContact CE2-CB 4.49Å; F15-I50 HydrophobicContact CE2-CG2 3.5Å; F15-I50 HydrophobicContact CZ-CB 4.43Å; F15-I50 HydrophobicContact CZ-CG2 3.89Å; I22-I50 HydrophobicContact CG2-CG2 3.7Å; W23-I50 WeakPolarHBondContact O-CA 3.34Å; L24-I50 HydrophobicContact CD2-CB 4.35Å; L24-I50 HydrophobicContact CD2-CD1 3.78Å; L24-I50 HydrophobicContact CD2-CG1 3.65Å; L24-I50 HydrophobicContact CD2-CG2 3.95Å; I41-I50 HydrophobicContact CD1-CD1 3.91Å; I41-I50 HydrophobicContact CG2-CD1 4.25Å; L44-I50 HydrophobicContact CB-CD1 3.86Å; L44-I50 HydrophobicContact CB-CG1 3.89Å; L44-I50 HydrophobicContact CD1-CD1 3.78Å; L44-I50 HydrophobicContact CD1-CG1 4.31Å; L44-I50 PolarHBondContact O-N 3.24Å; F45-I50 VanDerWaalsContact CD2-O 3.26Å; F45-I50 WeakPolarHBondContact CD2-O 3.47Å; N48-I50 VanDerWaalsContact C-N 3.3Å
51I94.9Very high95.5Very high70 Ų7095.1 Ų95.136%0.35947%0.474SS..EExtended strand (participates in β ladder)trans-112.6135.7-175.8-57.6175.7000110.4W23 N48 K53W23-I51 HydrophobicContact CB-CB 4.27Å; W23-I51 HydrophobicContact CE3-CB 3.97Å; W23-I51 HydrophobicContact CE3-CD1 3.68Å; W23-I51 HydrophobicContact CE3-CG1 3.78Å; W23-I51 HydrophobicContact CZ3-CD1 3.71Å; W23-I51 HydrophobicContact CZ3-CG1 4.13Å; W23-I51 PolarHBondContact N-O 2.88Å; W23-I51 PolarHBondContact O-N 3.31Å; N48-I51 WeakPolarHBondContact O-CG1 3.47Å; I51-K53 PolarHBondContact O-N 3.21Å
52R94.6Very high95.5Very high132 Ų132105.1 Ų105.150%0.49851%0.512SS..EExtended strand (participates in β ladder)trans-77.7103.9165.5-178.7177.4173.4167.3-2.1108.8K21 F45K21-R52 CarbonylContact O-C 3.21Å; K21-R52 WeakPolarHBondContact O-CA 3.45Å; F45-R52 HydrophobicContact CE2-CB 4.31Å
53K94.8Very high95.6Very high92 Ų92101 Ų10140%0.451%0.506SS..PPolyproline II helixtrans-55.2137.5173.1-60.8-172.3179.9-1720109.7K21 W23 I51K21-K53 HydrophobicContact CD-CB 4.4Å; K21-K53 PolarHBondContact O-N 3.45Å; W23-K53 HydrophobicContact CB-CD 4.34Å; W23-K53 VanDerWaalsContact CB-CE 3.48Å; W23-K53 HydrophobicContact CB-CG 3.89Å; I51-K53 PolarHBondContact O-N 3.21Å
54P95.2Very high95.7Very high111 Ų111102.2 Ų102.272%0.72151%0.507SS*.PPolyproline II helixtrans-60.2159.8175.724.8-33.3000111.8K21K21-P54 PolarHBondContact NZ-O 3.37Å
55V95Very high95.8Very high109 Ų109109.6 Ų109.666%0.66154%0.538SS*.PPolyproline II helixtrans-66.2142.3173.1-178.30000108.7V57V55-V57 PolarHBondContact O-N 2.85Å
56T94.4Very high96Very high89 Ų89108.9 Ų108.955%0.54654%0.538SS..PPolyproline II helixtrans-68.1122.1176-55.70000107.9K21 H58K21-T56 PolarHBondContact NZ-OG1 2.84Å; T56-H58 PolarHBondContact O-CD2 3.49Å; T56-H58 VanDerWaalsContact O-CD2 3.28Å; T56-H58 PolarHBondContact O-N 2.95Å
57V95.6Very high96.1Very high130 Ų130104.1 Ų104.179%0.78852%0.521SS*.PPolyproline II helixtrans-72.8119-173.2179.70000110.3V55V55-V57 PolarHBondContact O-N 2.85Å
58H97.1Very high96.2Very high163 Ų163104.7 Ų104.776%0.75552%0.523SS*.  trans-102.691169.1-70.1-87.1000109.8T56 R60T56-H58 PolarHBondContact O-CD2 3.49Å; T56-H58 VanDerWaalsContact O-CD2 3.28Å; T56-H58 PolarHBondContact O-N 2.95Å; H58-R60 PolarHBondContact O-N 3.46Å
59S96.5Very high96.4Very high82 Ų82100.6 Ų100.657%0.57351%0.505SS*.  trans-66.5132.8-177.4-176.90000112.5S61S59-S61 PolarHBondContact OG-N 3.04Å; S59-S61 PolarHBondContact OG-OG 3.3Å
60R97Very high96.5Very high162 Ų162106 Ų10661%0.61152%0.523SS*.  trans-92.66.8174.4-64.6-168.968.2117.82113.8H58 R62 C63 R64H58-R60 PolarHBondContact O-N 3.46Å; R60-R62 PolarHBondContact O-N 3.34Å; R60-C63 WeakPolarHBondContact O-CB 3.46Å; R60-C63 PolarHBondContact O-N 2.94Å; R60-R64 WeakPolarHBondContact O-CG 3.5Å; R60-R64 PolarHBondContact O-N 3.1Å
61S97.2Very high96.6Very high67 Ų67115 Ų11547%0.46956%0.557SS.*Hα-helixtrans-54.3-48.1-177.161.30000112.5S59 C63 R64 K65S59-S61 PolarHBondContact OG-N 3.04Å; S59-S61 PolarHBondContact OG-OG 3.3Å; S61-C63 PolarHBondContact O-N 3.3Å; S61-R64 PolarHBondContact O-N 2.98Å; S61-K65 PolarHBondContact O-N 3.35Å
62R97.7Very high96.7Very high210 Ų210119.5 Ų119.579%0.79257%0.574SS**Hα-helixtrans-61.8-43.7177.6-67.7-171.4-75.1172.2-4.6112.7R60 R64 K65 N66R60-R62 PolarHBondContact O-N 3.34Å; R62-R64 PolarHBondContact O-N 2.97Å; R62-K65 PolarHBondContact O-N 3.27Å; R62-N66 WeakPolarHBondContact O-CB 3.31Å; R62-N66 PolarHBondContact O-N 3.11Å
63C97.7Very high96.8Very high65 Ų65115.6 Ų115.644%0.43958%0.575SS.*Hα-helixtrans-61.4-43.3176.4176.90000111.5R60 S61 N66 L67R60-C63 WeakPolarHBondContact O-CB 3.46Å; R60-C63 PolarHBondContact O-N 2.94Å; S61-C63 PolarHBondContact O-N 3.3Å; C63-N66 PolarHBondContact O-N 3.47Å; C63-L67 WeakPolarHBondContact O-CB 3.44Å; C63-L67 PolarHBondContact O-N 3.49Å
64R97.9Very high96.9Very high166 Ų166119.4 Ų119.463%0.62659%0.587SS**Hα-helixtrans-65.5-44.6176.8-69.1176.3-175.5156.50.6112R60 S61 R62 N66 L67 I68R60-R64 WeakPolarHBondContact O-CG 3.5Å; R60-R64 PolarHBondContact O-N 3.1Å; S61-R64 PolarHBondContact O-N 2.98Å; R62-R64 PolarHBondContact O-N 2.97Å; R64-N66 VanDerWaalsContact C-N 3.32Å; R64-N66 PolarHBondContact O-N 3.41Å; R64-L67 PolarHBondContact O-N 2.93Å; R64-I68 WeakPolarHBondContact O-CG1 3.39Å; R64-I68 PolarHBondContact O-N 3.45Å
65K97.9Very high97Very high166 Ų166119.3 Ų119.372%0.72258%0.577SS**Hα-helixtrans-56.6-46.2175-174.2176.2-179.8176.90111.1S61 R62 I68 A69S61-K65 PolarHBondContact O-N 3.35Å; R62-K65 PolarHBondContact O-N 3.27Å; K65-I68 PolarHBondContact O-N 2.84Å; K65-A69 PolarHBondContact O-N 2.93Å
66N97.9Very high96.9Very high76 Ų76116.2 Ų116.241%0.40656%0.56SS.*Hα-helixtrans-65.3-41.7176.5-169.92.4000112.1R62 C63 R64 I68 A69 R70 H75R62-N66 WeakPolarHBondContact O-CB 3.31Å; R62-N66 PolarHBondContact O-N 3.11Å; C63-N66 PolarHBondContact O-N 3.47Å; R64-N66 VanDerWaalsContact C-N 3.32Å; R64-N66 PolarHBondContact O-N 3.41Å; N66-I68 VanDerWaalsContact C-N 3.32Å; N66-I68 PolarHBondContact O-N 2.84Å; N66-A69 PolarHBondContact O-N 3.37Å; N66-R70 WeakPolarHBondContact O-CB 3.45Å; N66-R70 WeakPolarHBondContact O-CG 3.4Å; N66-R70 PolarHBondContact O-N 3.22Å; N66-H75 PolarHBondContact OD1-CD2 3.5Å
67L97.6Very high97Very high78 Ų78114 Ų11441%0.40856%0.555SS.*Hα-helixtrans-60.6-41176.3-178.461.3000112.2C63 R64 R70 R71C63-L67 WeakPolarHBondContact O-CB 3.44Å; C63-L67 PolarHBondContact O-N 3.49Å; R64-L67 PolarHBondContact O-N 2.93Å; L67-R70 PolarHBondContact O-N 3.37Å; L67-R71 WeakPolarHBondContact O-CG 3.49Å; L67-R71 PolarHBondContact O-N 2.99Å
68I97.8Very high97.1Very high91 Ų91113.4 Ų113.447%0.46755%0.552SS.*Hα-helixtrans-63.9-44.9174.8-66164.7000110.5R64 K65 N66 R70 R71 K72R64-I68 WeakPolarHBondContact O-CG1 3.39Å; R64-I68 PolarHBondContact O-N 3.45Å; K65-I68 PolarHBondContact O-N 2.84Å; N66-I68 VanDerWaalsContact C-N 3.32Å; N66-I68 PolarHBondContact O-N 2.84Å; I68-R70 PolarHBondContact O-N 3.47Å; I68-R71 PolarHBondContact O-N 2.95Å; I68-K72 PolarHBondContact O-N 3.04Å
69A97.9Very high97.1Very high26 Ų26108.9 Ų108.922%0.21555%0.549CS..Hα-helixtrans-60.5-42.9175.300000112.1K65 N66 R71 K72 R74K65-A69 PolarHBondContact O-N 2.93Å; N66-A69 PolarHBondContact O-N 3.37Å; A69-R71 PolarHBondContact O-N 3.49Å; A69-K72 WeakPolarHBondContact O-CB 3.38Å; A69-K72 PolarHBondContact O-N 3.39Å; A69-R74 HydrophobicContact CB-CB 4.3Å; A69-R74 VanDerWaalsContact O-CB 3.28Å; A69-R74 WeakPolarHBondContact O-CB 3.38Å; A69-R74 WeakPolarHBondContact O-CG 3.5Å; A69-R74 PolarHBondContact O-N 3.3Å; A69-R74 VanDerWaalsContact O-N 3.07Å
70R97.5Very high97.1Very high140 Ų140112.1 Ų112.153%0.52855%0.553SS.*Hα-helixtrans-63.3-37.3175.5-73.3-177.769.7-171.6-0.6112.8N66 L67 I68 K72 G73 H75N66-R70 WeakPolarHBondContact O-CB 3.45Å; N66-R70 WeakPolarHBondContact O-CG 3.4Å; N66-R70 PolarHBondContact O-N 3.22Å; L67-R70 PolarHBondContact O-N 3.37Å; I68-R70 PolarHBondContact O-N 3.47Å; R70-K72 VanDerWaalsContact C-N 3.28Å; R70-K72 PolarHBondContact O-N 3.38Å; R70-G73 WeakPolarHBondContact O-CA 3.48Å; R70-G73 PolarHBondContact O-N 3.31Å; R70-H75 HydrophobicContact CG-CB 4.28Å
71R96.8Very high97Very high191 Ų191110.7 Ų110.772%0.72155%0.548SS*.Hα-helixtrans-63.8-32.6174.1-74.9174-176.3163.4-0.8112.7L67 I68 A69 G73L67-R71 WeakPolarHBondContact O-CG 3.49Å; L67-R71 PolarHBondContact O-N 2.99Å; I68-R71 PolarHBondContact O-N 2.95Å; A69-R71 PolarHBondContact O-N 3.49Å; R71-G73 PolarHBondContact O-N 2.95Å
72K97.3Very high96.9Very high164 Ų164116 Ų11671%0.71356%0.562SS**THydrogen-bonded Turntrans-74.43.5171.1-62.8-178.3178.9-172.20113.5I68 A69 R70I68-K72 PolarHBondContact O-N 3.04Å; A69-K72 WeakPolarHBondContact O-CB 3.38Å; A69-K72 PolarHBondContact O-N 3.39Å; R70-K72 VanDerWaalsContact C-N 3.28Å; R70-K72 PolarHBondContact O-N 3.38Å
73G96.7Very high96.9Very high50 Ų50109 Ų10952%0.51556%0.555SS.*THydrogen-bonded Turntrans88.51.4-179.400000115.2R70 R71R70-G73 WeakPolarHBondContact O-CA 3.48Å; R70-G73 PolarHBondContact O-N 3.31Å; R71-G73 PolarHBondContact O-N 2.95Å
74R96.6Very high96.8Very high171 Ų171110.6 Ų110.665%0.64556%0.563SS**THydrogen-bonded Turntrans-71.6159.8176.9-49.8-58.8-176.5-178.2-0.1111.1A69 S76A69-R74 HydrophobicContact CB-CB 4.3Å; A69-R74 VanDerWaalsContact O-CB 3.28Å; A69-R74 WeakPolarHBondContact O-CB 3.38Å; A69-R74 WeakPolarHBondContact O-CG 3.5Å; A69-R74 PolarHBondContact O-N 3.3Å; A69-R74 VanDerWaalsContact O-N 3.07Å; R74-S76 PolarHBondContact O-N 2.9Å; R74-S76 VanDerWaalsContact O-N 3.14Å; R74-S76 PolarHBondContact O-OG 2.95Å
75H96.2Very high96.8Very high110 Ų110106.3 Ų106.351%0.50956%0.563SS.*THydrogen-bonded Turntrans56.124.7179.7-45.5-67.4000115.8N66 R70N66-H75 PolarHBondContact OD1-CD2 3.5Å; R70-H75 HydrophobicContact CG-CB 4.28Å
76S94.6Very high96.8Very high43 Ų43102.3 Ų102.330%0.30155%0.55SS..  trans-113.66.5-177.8-59.60000114.3R74 R81R74-S76 PolarHBondContact O-N 2.9Å; R74-S76 VanDerWaalsContact O-N 3.14Å; R74-S76 PolarHBondContact O-OG 2.95Å; S76-R81 PolarHBondContact O-NE 3.01Å; S76-R81 VanDerWaalsContact O-NE 3.07Å; S76-R81 PolarHBondContact O-NH2 3.44Å; S76-R81 VanDerWaalsContact O-NH2 3.14Å
77G95.7Very high96.7Very high44 Ų44102.1 Ų102.145%0.45456%0.559SS.*SBendtrans-66.6166.9176.900000113.3G79 K80 R81G77-G79 VanDerWaalsContact C-N 3.34Å; G77-G79 PolarHBondContact O-N 3.41Å; G77-K80 PolarHBondContact O-N 3.44Å; G77-R81 WeakPolarHBondContact O-CG 3.49Å
78T96.7Very high96.7Very high116 Ų116104 Ų10471%0.71256%0.56SS**G310 helixtrans-52.4-45.6-175.445.30000113K80 R81T78-K80 PolarHBondContact O-N 2.81Å; T78-K80 VanDerWaalsContact O-N 3.12Å; T78-R81 WeakPolarHBondContact O-CB 3.34Å; T78-R81 PolarHBondContact O-N 2.93Å
79G97.2Very high96.6Very high68 Ų68103.4 Ų103.470%0.70156%0.557SS**G310 helixtrans-64.7-15.5179.600000115.8G77G77-G79 VanDerWaalsContact C-N 3.34Å; G77-G79 PolarHBondContact O-N 3.41Å
80K96.5Very high96.6Very high151 Ų151104.6 Ų104.666%0.65756%0.562SS**G310 helixtrans-97.7-3.8174.8-62.3-57.4-176.1-171.30113G77 T78G77-K80 PolarHBondContact O-N 3.44Å; T78-K80 PolarHBondContact O-N 2.81Å; T78-K80 VanDerWaalsContact O-N 3.12Å
81R96.3Very high96.6Very high132 Ų132103.5 Ų103.550%0.49856%0.563SS.*  trans-84.4125.9179.9-61.3175.8-170.3178.81.2108.8S76 G77 T78S76-R81 PolarHBondContact O-NE 3.01Å; S76-R81 VanDerWaalsContact O-NE 3.07Å; S76-R81 PolarHBondContact O-NH2 3.44Å; S76-R81 VanDerWaalsContact O-NH2 3.14Å; G77-R81 WeakPolarHBondContact O-CG 3.49Å; T78-R81 WeakPolarHBondContact O-CB 3.34Å; T78-R81 PolarHBondContact O-N 2.93Å
82K95.3Very high96.6Very high178 Ų178102 Ų10277%0.77456%0.562SS**  trans-119.3142166-58.6-65.6-176.5177.10107
83G96.3Very high96.6Very high63 Ų6396.1 Ų96.165%0.64954%0.54SS*.SBendtrans83.6160-172.300000114.4
84T97.1Very high96.6Very high98 Ų9897.2 Ų97.260%0.60153%0.533SS*.  trans-69.4164.4179.264.10000111.9D86 A87 R88T84-D86 VanDerWaalsContact C-N 3.28Å; T84-D86 PolarHBondContact O-N 2.97Å; T84-A87 PolarHBondContact O-N 3Å; T84-A87 PolarHBondContact OG1-N 2.95Å; T84-R88 WeakPolarHBondContact O-CG 3.28Å; T84-R88 PolarHBondContact O-N 3.41Å; T84-R88 VanDerWaalsContact O-N 3.16Å
85A96.6Very high96.6Very high76 Ų7695 Ų9563%0.62853%0.525SS*.Hα-helixtrans-59.2-40.5178.400000112.3R88 M89A85-R88 PolarHBondContact O-N 3.41Å; A85-M89 PolarHBondContact O-N 2.9Å
86D97.8Very high96.6Very high82 Ų8292.7 Ų92.744%0.43952%0.515SS..Hα-helixtrans-67.9-39.2178.8-16460.1000112.1T84 R88 M89 P90 Q91T84-D86 VanDerWaalsContact C-N 3.28Å; T84-D86 PolarHBondContact O-N 2.97Å; D86-R88 VanDerWaalsContact C-N 3.28Å; D86-R88 PolarHBondContact O-N 2.89Å; D86-M89 CarbonylContact O-C 3.48Å; D86-M89 PolarHBondContact O-N 3.16Å; D86-P90 WeakPolarHBondContact O-CA 3.4Å; D86-P90 VanDerWaalsContact O-CD 3.32Å; D86-P90 WeakPolarHBondContact O-CD 3.45Å; D86-P90 WeakPolarHBondContact O-CG 3.48Å; D86-P90 WeakPolarHBondContact OD1-CA 3.5Å; D86-Q91 WeakPolarHBondContact OD1-CG 3.4Å; D86-Q91 PolarHBondContact OD1-N 3.11Å
87A97.3Very high96.7Very high73 Ų7397.9 Ų97.960%0.60353%0.528SS*.Hα-helixtrans-62.9-34.4174.200000112.8T84T84-A87 PolarHBondContact O-N 3Å; T84-A87 PolarHBondContact OG1-N 2.95Å
88R96.6Very high96.8Very high116 Ų11699.2 Ų99.244%0.43852%0.52SS..Hα-helixtrans-76.9-39.2178.8-66.4170.259.979.22.8112.5T84 A85 D86T84-R88 WeakPolarHBondContact O-CG 3.28Å; T84-R88 PolarHBondContact O-N 3.41Å; T84-R88 VanDerWaalsContact O-N 3.16Å; A85-R88 PolarHBondContact O-N 3.41Å; D86-R88 VanDerWaalsContact C-N 3.28Å; D86-R88 PolarHBondContact O-N 2.89Å
89M95.8Very high96.8Very high80 Ų8093.9 Ų93.939%0.39449%0.487SS..SBendtrans-149.596178.5-80.2-58.6-57.100109.6A85 D86 Q91 L94A85-M89 PolarHBondContact O-N 2.9Å; D86-M89 CarbonylContact O-C 3.48Å; D86-M89 PolarHBondContact O-N 3.16Å; M89-Q91 PolarHBondContact O-N 3.44Å; M89-L94 HydrophobicContact CE-CD2 3.92Å
90P97.9Very high96.8Very high51 Ų5198.8 Ų98.833%0.33148%0.484SS..  trans-61.5134.5-174-2633.2000112.8D86 K92 V93 L94D86-P90 WeakPolarHBondContact O-CA 3.4Å; D86-P90 VanDerWaalsContact O-CD 3.32Å; D86-P90 WeakPolarHBondContact O-CD 3.45Å; D86-P90 WeakPolarHBondContact O-CG 3.48Å; D86-P90 WeakPolarHBondContact OD1-CA 3.5Å; P90-K92 PolarHBondContact O-N 2.7Å; P90-V93 HydrophobicContact CB-CG2 4.11Å; P90-V93 HydrophobicContact CG-CG2 4.36Å; P90-V93 WeakPolarHBondContact O-CB 3.39Å; P90-V93 PolarHBondContact O-N 3.37Å; P90-L94 PolarHBondContact O-N 3.03Å
91Q96.8Very high96.9Very high116 Ų11694.8 Ų94.854%0.54247%0.472SS..Hα-helixtrans-57.3-36.6180-67.9-56.2-40.200111.8D86 M89 V93 L94 W95D86-Q91 WeakPolarHBondContact OD1-CG 3.4Å; D86-Q91 PolarHBondContact OD1-N 3.11Å; M89-Q91 PolarHBondContact O-N 3.44Å; Q91-V93 VanDerWaalsContact C-N 3.3Å; Q91-V93 PolarHBondContact O-N 2.83Å; Q91-L94 PolarHBondContact O-N 3.23Å; Q91-W95 PolarHBondContact O-N 3.13Å
92K97.8Very high96.9Very high159 Ų15988.5 Ų88.569%0.69145%0.449SS*.Hα-helixtrans-57.4-41.2174.5-170.6175.2-179.2173.20112.2P90 W95 M96P90-K92 PolarHBondContact O-N 2.7Å; K92-W95 PolarHBondContact O-N 3.11Å; K92-M96 HydrophobicContact CG-CE 4.16Å; K92-M96 WeakPolarHBondContact O-CB 3.3Å; K92-M96 VanDerWaalsContact O-CG 3.31Å; K92-M96 WeakPolarHBondContact O-CG 3.4Å; K92-M96 PolarHBondContact O-N 3.16Å
93V97.5Very high97Very high42 Ų4283.8 Ų83.826%0.25543%0.426SS..Hα-helixtrans-67.8-41.8178.2175.30000110.9P90 Q91 M96 R97P90-V93 HydrophobicContact CB-CG2 4.11Å; P90-V93 HydrophobicContact CG-CG2 4.36Å; P90-V93 WeakPolarHBondContact O-CB 3.39Å; P90-V93 PolarHBondContact O-N 3.37Å; Q91-V93 VanDerWaalsContact C-N 3.3Å; Q91-V93 PolarHBondContact O-N 2.83Å; V93-M96 HydrophobicContact CG2-CE 4.15Å; V93-M96 PolarHBondContact O-N 3.35Å; V93-R97 HydrophobicContact CG1-CG 4.49Å; V93-R97 WeakPolarHBondContact O-CB 3.48Å; V93-R97 VanDerWaalsContact O-CG 3.31Å; V93-R97 WeakPolarHBondContact O-CG 3.42Å; V93-R97 PolarHBondContact O-N 3.35Å
94L96.4Very high97.1Very high72 Ų7289.4 Ų89.438%0.37743%0.427SS..Hα-helixtrans-62-45.8175.7-65.2175.8000111.4M89 P90 Q91 R97 R98M89-L94 HydrophobicContact CE-CD2 3.92Å; P90-L94 PolarHBondContact O-N 3.03Å; Q91-L94 PolarHBondContact O-N 3.23Å; L94-R97 PolarHBondContact O-N 3.37Å; L94-R98 WeakPolarHBondContact O-CB 3.5Å; L94-R98 PolarHBondContact O-N 3.32Å
95W95.9Very high97.1Very high124 Ų12485 Ų8547%0.4740%0.4SS..Hα-helixtrans-60.5-48176.3179.891.5000112Q91 K92 R97 R98 M99Q91-W95 PolarHBondContact O-N 3.13Å; K92-W95 PolarHBondContact O-N 3.11Å; W95-R97 PolarHBondContact O-N 3.43Å; W95-R98 PolarHBondContact O-N 3.25Å; W95-M99 HydrophobicContact CD2-CG 3.91Å; W95-M99 HydrophobicContact CE3-CG 4.43Å; W95-M99 HydrophobicContact CG-CG 4.36Å; W95-M99 HydrophobicContact CH2-CG 4.35Å; W95-M99 HydrophobicContact CZ2-CG 3.82Å; W95-M99 WeakPolarHBondContact O-CB 3.43Å; W95-M99 WeakPolarHBondContact O-CG 3.48Å; W95-M99 PolarHBondContact O-N 2.83Å
96M96.7Very high97.2Very high63 Ų6381.3 Ų81.331%0.3137%0.37SS..Hα-helixtrans-58.9-46.5177.6-77-171.1-67.700112K92 V93 R100K92-M96 HydrophobicContact CG-CE 4.16Å; K92-M96 WeakPolarHBondContact O-CB 3.3Å; K92-M96 VanDerWaalsContact O-CG 3.31Å; K92-M96 WeakPolarHBondContact O-CG 3.4Å; K92-M96 PolarHBondContact O-N 3.16Å; V93-M96 HydrophobicContact CG2-CE 4.15Å; V93-M96 PolarHBondContact O-N 3.35Å; M96-R100 WeakPolarHBondContact O-CB 3.48Å; M96-R100 WeakPolarHBondContact O-CG 3.45Å; M96-R100 PolarHBondContact O-N 3.35Å
97R97.1Very high97.2Very high151 Ų15182.6 Ų82.657%0.5737%0.372SS*.Hα-helixtrans-60.7-47.8177.9-74175.4-179-177.92.8111V93 L94 W95 R100 V101V93-R97 HydrophobicContact CG1-CG 4.49Å; V93-R97 WeakPolarHBondContact O-CB 3.48Å; V93-R97 VanDerWaalsContact O-CG 3.31Å; V93-R97 WeakPolarHBondContact O-CG 3.42Å; V93-R97 PolarHBondContact O-N 3.35Å; L94-R97 PolarHBondContact O-N 3.37Å; W95-R97 PolarHBondContact O-N 3.43Å; R97-R100 PolarHBondContact O-N 3.3Å; R97-V101 VanDerWaalsContact O-CG2 3.29Å; R97-V101 WeakPolarHBondContact O-CG2 3.49Å; R97-V101 PolarHBondContact O-N 3.04Å
98R96.9Very high97.2Very high72 Ų7285.4 Ų85.427%0.27237%0.367SS..Hα-helixtrans-60.2-51178.7-176.7175.559.5155.98.3111.8L94 W95 R100 V101 L102 N130 K133L94-R98 WeakPolarHBondContact O-CB 3.5Å; L94-R98 PolarHBondContact O-N 3.32Å; W95-R98 PolarHBondContact O-N 3.25Å; R98-R100 VanDerWaalsContact C-N 3.33Å; R98-R100 PolarHBondContact O-N 2.94Å; R98-V101 PolarHBondContact O-N 3.44Å; R98-L102 HydrophobicContact CG-CD1 4.21Å; R98-L102 WeakPolarHBondContact O-CG 3.23Å; R98-L102 PolarHBondContact O-N 3.46Å; R98-N130 PolarHBondContact NH1-OD1 2.94Å; R98-N130 PolarHBondContact NH2-OD1 3.05Å; R98-K133 WeakPolarHBondContact CD-O 3.43Å
99M97.2Very high97.3Very high5 Ų581 Ų813%0.02535%0.35CS..Hα-helixtrans-59.8-42.2179.2-73-59.5117.900112.2W95 V101 L102 R103 C127W95-M99 HydrophobicContact CD2-CG 3.91Å; W95-M99 HydrophobicContact CE3-CG 4.43Å; W95-M99 HydrophobicContact CG-CG 4.36Å; W95-M99 HydrophobicContact CH2-CG 4.35Å; W95-M99 HydrophobicContact CZ2-CG 3.82Å; W95-M99 WeakPolarHBondContact O-CB 3.43Å; W95-M99 WeakPolarHBondContact O-CG 3.48Å; W95-M99 PolarHBondContact O-N 2.83Å; M99-V101 PolarHBondContact O-N 3.36Å; M99-L102 HydrophobicContact CE-CD1 4.11Å; M99-L102 PolarHBondContact O-N 2.86Å; M99-R103 WeakPolarHBondContact O-CB 3.33Å; M99-R103 VanDerWaalsContact O-CG 3.3Å; M99-R103 WeakPolarHBondContact O-CG 3.38Å; M99-R103 PolarHBondContact O-N 2.96Å; M99-C127 WeakPolarHBondContact CE-O 3.41Å; M99-C127 VanDerWaalsContact SD-O 3.38Å
100R97.5Very high97.3Very high170 Ų17082 Ų8264%0.64235%0.35SS*.Hα-helixtrans-63.4-40.6176.8-73.2174.4-175.5-129.73.1112.1M96 R97 R98 R104M96-R100 WeakPolarHBondContact O-CB 3.48Å; M96-R100 WeakPolarHBondContact O-CG 3.45Å; M96-R100 PolarHBondContact O-N 3.35Å; R97-R100 PolarHBondContact O-N 3.3Å; R98-R100 VanDerWaalsContact C-N 3.33Å; R98-R100 PolarHBondContact O-N 2.94Å; R100-R104 WeakPolarHBondContact O-CB 3.42Å; R100-R104 PolarHBondContact O-N 2.69Å
101V97.7Very high97.3Very high67 Ų6784.8 Ų84.841%0.40636%0.358SS..Hα-helixtrans-64.3-46.5177.2170.30000111.3R97 R98 M99 L105 K135R97-V101 VanDerWaalsContact O-CG2 3.29Å; R97-V101 WeakPolarHBondContact O-CG2 3.49Å; R97-V101 PolarHBondContact O-N 3.04Å; R98-V101 PolarHBondContact O-N 3.44Å; M99-V101 PolarHBondContact O-N 3.36Å; V101-L105 PolarHBondContact O-N 3.15Å; V101-L105 VanDerWaalsContact O-N 3.12Å; V101-K135 HydrophobicContact CG1-CB 4.12Å; V101-K135 HydrophobicContact CG1-CD 4.22Å; V101-K135 HydrophobicContact CG1-CG 4.35Å
102L97.9Very high97.4Very high1 Ų182 Ų821%0.00536%0.355CS..Hα-helixtrans-65.1-48.1179.5-64.4175.9000111.7R98 M99 R104 L105 L106 F132 L138R98-L102 HydrophobicContact CG-CD1 4.21Å; R98-L102 WeakPolarHBondContact O-CG 3.23Å; R98-L102 PolarHBondContact O-N 3.46Å; M99-L102 HydrophobicContact CE-CD1 4.11Å; M99-L102 PolarHBondContact O-N 2.86Å; L102-R104 PolarHBondContact O-N 3.31Å; L102-L105 WeakPolarHBondContact O-CB 3.44Å; L102-L105 PolarHBondContact O-N 3.01Å; L102-L106 PolarHBondContact O-N 3.12Å; L102-F132 HydrophobicContact CD1-CB 4.07Å; L102-F132 HydrophobicContact CD2-CB 4.42Å; L102-L138 HydrophobicContact CB-CD2 4.16Å; L102-L138 HydrophobicContact CD2-CB 3.94Å; L102-L138 HydrophobicContact CD2-CD2 3.68Å; L102-L138 HydrophobicContact CD2-CG 4.47Å; L102-L138 HydrophobicContact CG-CD2 4.49Å
103R97.3Very high97.2Very high79 Ų7982.4 Ų82.430%0.29836%0.359SS..Hα-helixtrans-64.9-37.7-179.9-70178.6-179.1-178.11.5112.6M99 L105 L106 K107 Y124M99-R103 WeakPolarHBondContact O-CB 3.33Å; M99-R103 VanDerWaalsContact O-CG 3.3Å; M99-R103 WeakPolarHBondContact O-CG 3.38Å; M99-R103 PolarHBondContact O-N 2.96Å; R103-L105 VanDerWaalsContact C-N 3.34Å; R103-L106 PolarHBondContact O-N 3.22Å; R103-K107 PolarHBondContact O-N 3.06Å; R103-Y124 HydrophobicContact CG-CD2 4.41Å; R103-Y124 HydrophobicContact CG-CE2 3.91Å; R103-Y124 PolarHBondContact NE-OH 3.14Å; R103-Y124 PolarHBondContact NH1-OH 3.07Å
104R97.8Very high97.2Very high180 Ų18085.6 Ų85.668%0.67937%0.369SS*.Hα-helixtrans-63.7-40.1174.3-170.7-174-55.6172.20.9111.7R100 L102 K107 R108R100-R104 WeakPolarHBondContact O-CB 3.42Å; R100-R104 PolarHBondContact O-N 2.69Å; L102-R104 PolarHBondContact O-N 3.31Å; R104-K107 PolarHBondContact O-N 2.85Å; R104-R108 WeakPolarHBondContact O-CB 3.4Å; R104-R108 PolarHBondContact O-N 3.19Å
105L97.7Very high97.2Very high5 Ų582.6 Ų82.63%0.02635%0.353CS..Hα-helixtrans-61.8-48175.7177.566.6000111.2V101 L102 R103 K107 R108 Y109 K135 L138 I139V101-L105 PolarHBondContact O-N 3.15Å; V101-L105 VanDerWaalsContact O-N 3.12Å; L102-L105 WeakPolarHBondContact O-CB 3.44Å; L102-L105 PolarHBondContact O-N 3.01Å; R103-L105 VanDerWaalsContact C-N 3.34Å; L105-K107 PolarHBondContact O-N 3.44Å; L105-R108 PolarHBondContact O-N 3.09Å; L105-Y109 HydrophobicContact CD1-CD1 3.84Å; L105-Y109 HydrophobicContact CD1-CE1 3.53Å; L105-Y109 HydrophobicContact CD1-CE2 4.31Å; L105-Y109 HydrophobicContact CD1-CG 4.37Å; L105-Y109 WeakPolarHBondContact O-CB 3.17Å; L105-Y109 PolarHBondContact O-N 3.37Å; L105-K135 HydrophobicContact CD2-CG 3.77Å; L105-L138 HydrophobicContact CD2-CD2 3.95Å; L105-L138 HydrophobicContact CD2-CG 4.26Å; L105-I139 HydrophobicContact CD2-CD1 4.04Å; L105-I139 HydrophobicContact CD2-CG1 3.57Å
106L97.9Very high97.2Very high0 Ų078.7 Ų78.70%034%0.342CS..Hα-helixtrans-60.3-44.3178.4-69.5179.4000111.9L102 R103 R108 Y109 R110 I115 Y120 L123 L138 I142L102-L106 PolarHBondContact O-N 3.12Å; R103-L106 PolarHBondContact O-N 3.22Å; L106-R108 PolarHBondContact O-N 3.04Å; L106-Y109 PolarHBondContact O-N 2.86Å; L106-R110 WeakPolarHBondContact O-CB 3.4Å; L106-R110 PolarHBondContact O-N 3.34Å; L106-I115 HydrophobicContact CD2-CD1 4.08Å; L106-Y120 HydrophobicContact CB-CD2 3.81Å; L106-Y120 HydrophobicContact CB-CE2 3.63Å; L106-L123 HydrophobicContact CD1-CB 4.03Å; L106-L123 HydrophobicContact CD2-CB 3.8Å; L106-L123 HydrophobicContact CD2-CD1 3.8Å; L106-L123 HydrophobicContact CD2-CG 4.46Å; L106-L138 HydrophobicContact CD2-CD1 4.27Å; L106-L138 HydrophobicContact CD2-CD2 4.05Å; L106-L138 HydrophobicContact CG-CD2 4.06Å; L106-I142 HydrophobicContact CD2-CD1 4.13Å
107K97.5Very high97.2Very high109 Ų10982.8 Ų82.847%0.47436%0.358SS..Hα-helixtrans-57.6-50.8175.8-179.6175.2174.1177.70111.2R103 R104 L105 Y109 R110 E111R103-K107 PolarHBondContact O-N 3.06Å; R104-K107 PolarHBondContact O-N 2.85Å; L105-K107 PolarHBondContact O-N 3.44Å; K107-Y109 VanDerWaalsContact C-N 3.33Å; K107-Y109 PolarHBondContact O-N 3.46Å; K107-R110 WeakPolarHBondContact O-CB 3.44Å; K107-R110 PolarHBondContact O-N 3.28Å; K107-E111 WeakPolarHBondContact CE-OE1 3.36Å; K107-E111 WeakPolarHBondContact CG-OE1 3.42Å; K107-E111 IonicContact NZ-OE1 3.84Å; K107-E111 WeakPolarHBondContact O-CG 3.12Å; K107-E111 PolarHBondContact O-N 2.87Å
108R98Very high97.2Very high131 Ų13181.6 Ų81.649%0.49436%0.359SS..Hα-helixtrans-60-40.4178.2-173.1-176.570.3171.98.8112.4R104 L105 L106 A112R104-R108 WeakPolarHBondContact O-CB 3.4Å; R104-R108 PolarHBondContact O-N 3.19Å; L105-R108 PolarHBondContact O-N 3.09Å; L106-R108 PolarHBondContact O-N 3.04Å; R108-A112 VanDerWaalsContact O-CB 3.28Å; R108-A112 WeakPolarHBondContact O-CB 3.48Å; R108-A112 PolarHBondContact O-N 3.39Å
109Y97.8Very high97.1Very high23 Ų2379.3 Ų79.39%0.0935%0.351CS..Hα-helixtrans-72-30.1179.8-85.120.5000112.7L105 L106 K107 H113 K114 I115 I142L105-Y109 HydrophobicContact CD1-CD1 3.84Å; L105-Y109 HydrophobicContact CD1-CE1 3.53Å; L105-Y109 HydrophobicContact CD1-CE2 4.31Å; L105-Y109 HydrophobicContact CD1-CG 4.37Å; L105-Y109 WeakPolarHBondContact O-CB 3.17Å; L105-Y109 PolarHBondContact O-N 3.37Å; L106-Y109 PolarHBondContact O-N 2.86Å; K107-Y109 VanDerWaalsContact C-N 3.33Å; K107-Y109 PolarHBondContact O-N 3.46Å; Y109-H113 PolarHBondContact O-N 3Å; Y109-K114 HydrophobicContact CD1-CD 4.11Å; Y109-K114 HydrophobicContact CD2-CB 4.36Å; Y109-K114 HydrophobicContact CE1-CD 4.09Å; Y109-K114 HydrophobicContact CG-CB 4.25Å; Y109-K114 HydrophobicContact CG-CD 4.34Å; Y109-K114 PolarHBondContact O-N 3.26Å; Y109-I115 PolarHBondContact O-N 3.39Å; Y109-I142 HydrophobicContact CD2-CD1 4.04Å; Y109-I142 HydrophobicContact CE2-CD1 4.32Å
110R97.3Very high97.2Very high103 Ų10380.8 Ų80.839%0.38936%0.357SS..Hα-helixtrans-69.4-46.4172.7-172.9-175.671.5171.96.4111.2L106 K107 A112 H113 I115 Y120L106-R110 WeakPolarHBondContact O-CB 3.4Å; L106-R110 PolarHBondContact O-N 3.34Å; K107-R110 WeakPolarHBondContact O-CB 3.44Å; K107-R110 PolarHBondContact O-N 3.28Å; R110-A112 VanDerWaalsContact C-N 3.34Å; R110-H113 PolarHBondContact O-N 3.1Å; R110-H113 VanDerWaalsContact O-N 3.12Å; R110-I115 HydrophobicContact CB-CG1 4.27Å; R110-Y120 HydrophobicContact CB-CD2 3.98Å; R110-Y120 HydrophobicContact CB-CG 4.44Å; R110-Y120 HydrophobicContact CG-CD2 4.42Å; R110-Y120 HydrophobicContact CG-CG 4.42Å
111E97.3Very high97.2Very high109 Ų10978 Ų7851%0.50935%0.351SS..Hα-helixtrans-64.5-37.5177.5-71.8168178.900112.1K107 H113K107-E111 WeakPolarHBondContact CE-OE1 3.36Å; K107-E111 WeakPolarHBondContact CG-OE1 3.42Å; K107-E111 IonicContact NZ-OE1 3.84Å; K107-E111 WeakPolarHBondContact O-CG 3.12Å; K107-E111 PolarHBondContact O-N 2.87Å; E111-H113 PolarHBondContact O-CD2 3.28Å; E111-H113 PolarHBondContact O-N 3.36Å
112A97.5Very high97.2Very high56 Ų5678.8 Ų78.846%0.46335%0.353SS..THydrogen-bonded Turntrans-81.611.7174.300000113.9R108 R110 K114R108-A112 VanDerWaalsContact O-CB 3.28Å; R108-A112 WeakPolarHBondContact O-CB 3.48Å; R108-A112 PolarHBondContact O-N 3.39Å; R110-A112 VanDerWaalsContact C-N 3.34Å; A112-K114 HydrophobicContact CB-CG 4.27Å; A112-K114 PolarHBondContact O-N 3.14Å
113H95.2Very high97.1Very high169 Ų16978.8 Ų78.878%0.78235%0.352SS*.THydrogen-bonded Turntrans52.423.2-179.6-57.6-76.7000115.6Y109 R110 E111 I115Y109-H113 PolarHBondContact O-N 3Å; R110-H113 PolarHBondContact O-N 3.1Å; R110-H113 VanDerWaalsContact O-N 3.12Å; E111-H113 PolarHBondContact O-CD2 3.28Å; E111-H113 PolarHBondContact O-N 3.36Å; H113-I115 VanDerWaalsContact C-N 3.31Å
114K96.6Very high97.2Very high108 Ų10878 Ų7847%0.4735%0.35SS..SBendtrans-74.7-26.4175.8-63.9-167.9178.9-163.60111.9Y109 A112 K146Y109-K114 HydrophobicContact CD1-CD 4.11Å; Y109-K114 HydrophobicContact CD2-CB 4.36Å; Y109-K114 HydrophobicContact CE1-CD 4.09Å; Y109-K114 HydrophobicContact CG-CB 4.25Å; Y109-K114 HydrophobicContact CG-CD 4.34Å; Y109-K114 PolarHBondContact O-N 3.26Å; A112-K114 HydrophobicContact CB-CG 4.27Å; A112-K114 PolarHBondContact O-N 3.14Å; K114-K146 WeakPolarHBondContact O-CD 3.29Å; K114-K146 WeakPolarHBondContact O-CE 3.18Å; K114-K146 PolarHBondContact O-NZ 3.02Å
115I96.7Very high97.1Very high9 Ų973.6 Ų73.65%0.04634%0.337CS..SBendtrans-131.9149.2175.262.7-178.3000108.8L106 Y109 R110 H113 L119 Y120 I142L106-I115 HydrophobicContact CD2-CD1 4.08Å; Y109-I115 PolarHBondContact O-N 3.39Å; R110-I115 HydrophobicContact CB-CG1 4.27Å; H113-I115 VanDerWaalsContact C-N 3.31Å; I115-L119 HydrophobicContact CB-CD2 4.25Å; I115-L119 HydrophobicContact CG2-CD2 3.99Å; I115-Y120 HydrophobicContact CD1-CD2 4.14Å; I115-I142 HydrophobicContact CG2-CG2 3.79Å
116D95.9Very high97.1Very high42 Ų4276.1 Ų76.123%0.22535%0.349CS..  trans-84.9172.3174.669.1-13.8000111.7H118 L119 Y120 R149D116-H118 PolarHBondContact O-N 3.19Å; D116-H118 IonicContact OD2-CD2 3.89Å; D116-L119 WeakPolarHBondContact OD1-CA 3.35Å; D116-L119 WeakPolarHBondContact OD1-CB 2.95Å; D116-L119 PolarHBondContact OD1-N 3.13Å; D116-Y120 VanDerWaalsContact O-CB 3.24Å; D116-Y120 WeakPolarHBondContact O-CB 3.48Å; D116-Y120 PolarHBondContact O-N 3.44Å; D116-R149 IonicContact OD1-NH1 3.36Å; D116-R149 PolarHBondContact OD1-NH1 2.95Å; D116-R149 IonicContact OD2-CZ 3.04Å; D116-R149 IonicContact OD2-NH1 3.02Å; D116-R149 PolarHBondContact OD2-NH1 3.19Å; D116-R149 IonicContact OD2-NH2 2.81Å; D116-R149 PolarHBondContact OD2-NH2 2.9Å
117K96.7Very high97Very high149 Ų14976.1 Ų76.165%0.64835%0.349SS*.Hα-helixtrans-61-32.9179.265.5-177.8-179.7-178.70113.1H121K117-H121 PolarHBondContact O-N 3.16Å; K117-H121 VanDerWaalsContact O-N 3.1Å
118H96.5Very high97Very high127 Ų12777.2 Ų77.259%0.58835%0.354SS*.Hα-helixtrans-73.4-50.7-177.9-61.1-74000111.4D116 Y120 H121 L122D116-H118 PolarHBondContact O-N 3.19Å; D116-H118 IonicContact OD2-CD2 3.89Å; H118-Y120 VanDerWaalsContact C-N 3.29Å; H118-Y120 PolarHBondContact O-N 3.03Å; H118-H121 PolarHBondContact O-N 3.1Å; H118-L122 PolarHBondContact O-N 3.25Å; H118-L122 VanDerWaalsContact O-N 3.16Å
119L96.2Very high96.9Very high23 Ų2373.2 Ų73.212%0.1235%0.353CS..Hα-helixtrans-63.4-37.7174.7-175.259.5000110.9I115 D116 H121 L122 L123I115-L119 HydrophobicContact CB-CD2 4.25Å; I115-L119 HydrophobicContact CG2-CD2 3.99Å; D116-L119 WeakPolarHBondContact OD1-CA 3.35Å; D116-L119 WeakPolarHBondContact OD1-CB 2.95Å; D116-L119 PolarHBondContact OD1-N 3.13Å; L119-H121 PolarHBondContact O-N 3.19Å; L119-L122 PolarHBondContact O-N 2.88Å; L119-L123 HydrophobicContact CD1-CD1 4.06Å; L119-L123 HydrophobicContact CD1-CG 4.05Å; L119-L123 HydrophobicContact CD2-CD1 4.41Å; L119-L123 HydrophobicContact CG-CD1 3.72Å; L119-L123 HydrophobicContact CG-CG 4.2Å; L119-L123 WeakPolarHBondContact O-CB 3.5Å; L119-L123 WeakPolarHBondContact O-CG 3.28Å; L119-L123 PolarHBondContact O-N 3.48Å
120Y98.1Very high96.8Very high36 Ų3676.2 Ų76.214%0.14137%0.371CS..Hα-helixtrans-56.2-48.8173.7170.3-91.7000112.2L106 R110 I115 D116 H118 L123 Y124L106-Y120 HydrophobicContact CB-CD2 3.81Å; L106-Y120 HydrophobicContact CB-CE2 3.63Å; R110-Y120 HydrophobicContact CB-CD2 3.98Å; R110-Y120 HydrophobicContact CB-CG 4.44Å; R110-Y120 HydrophobicContact CG-CD2 4.42Å; R110-Y120 HydrophobicContact CG-CG 4.42Å; I115-Y120 HydrophobicContact CD1-CD2 4.14Å; D116-Y120 VanDerWaalsContact O-CB 3.24Å; D116-Y120 WeakPolarHBondContact O-CB 3.48Å; D116-Y120 PolarHBondContact O-N 3.44Å; H118-Y120 VanDerWaalsContact C-N 3.29Å; H118-Y120 PolarHBondContact O-N 3.03Å; Y120-L123 PolarHBondContact O-N 3.39Å; Y120-Y124 HydrophobicContact CE1-CD2 4.32Å; Y120-Y124 AromaticContact CZ-CD2 3.89Å; Y120-Y124 VanDerWaalsContact O-CB 3.28Å; Y120-Y124 WeakPolarHBondContact O-CB 3.43Å; Y120-Y124 PolarHBondContact O-N 2.99Å; Y120-Y124 WeakPolarHBondContact OH-CD2 3.35Å
121H97.8Very high96.7Very high113 Ų11377.8 Ų77.852%0.52338%0.382SS..Hα-helixtrans-63.8-45.6-178.5-17480.8000111.7K117 H118 L119 L123 Y124 Q125K117-H121 PolarHBondContact O-N 3.16Å; K117-H121 VanDerWaalsContact O-N 3.1Å; H118-H121 PolarHBondContact O-N 3.1Å; L119-H121 PolarHBondContact O-N 3.19Å; H121-L123 PolarHBondContact O-N 3.07Å; H121-Y124 WeakPolarHBondContact O-CB 3.47Å; H121-Y124 PolarHBondContact O-N 3.27Å; H121-Q125 PolarHBondContact O-N 3.44Å; H121-Q125 VanDerWaalsContact O-N 3.1Å
122L96.6Very high96.6Very high83 Ų8372.8 Ų72.844%0.43536%0.359SS..Hα-helixtrans-58.8-49.1176.9-177.1151.6000111.4H118 L119 Y124 Q125 Q126H118-L122 PolarHBondContact O-N 3.25Å; H118-L122 VanDerWaalsContact O-N 3.16Å; L119-L122 PolarHBondContact O-N 2.88Å; L122-Y124 VanDerWaalsContact C-N 3.27Å; L122-Y124 PolarHBondContact O-N 3.41Å; L122-Q125 PolarHBondContact O-N 3.43Å; L122-Q126 VanDerWaalsContact CD2-CD 3.42Å; L122-Q126 HydrophobicContact CD2-CG 4.24Å; L122-Q126 WeakPolarHBondContact O-CG 3.42Å; L122-Q126 PolarHBondContact O-N 3.19Å
123L97.7Very high96.5Very high0 Ų078 Ų780%037%0.371CS..Hα-helixtrans-64.9-32.7178.4-68170.5000112.3L106 L119 Y120 H121 Q126 C127 F132 L138 I142L106-L123 HydrophobicContact CD1-CB 4.03Å; L106-L123 HydrophobicContact CD2-CB 3.8Å; L106-L123 HydrophobicContact CD2-CD1 3.8Å; L106-L123 HydrophobicContact CD2-CG 4.46Å; L119-L123 HydrophobicContact CD1-CD1 4.06Å; L119-L123 HydrophobicContact CD1-CG 4.05Å; L119-L123 HydrophobicContact CD2-CD1 4.41Å; L119-L123 HydrophobicContact CG-CD1 3.72Å; L119-L123 HydrophobicContact CG-CG 4.2Å; L119-L123 WeakPolarHBondContact O-CB 3.5Å; L119-L123 WeakPolarHBondContact O-CG 3.28Å; L119-L123 PolarHBondContact O-N 3.48Å; Y120-L123 PolarHBondContact O-N 3.39Å; H121-L123 PolarHBondContact O-N 3.07Å; L123-Q126 PolarHBondContact O-N 3.05Å; L123-C127 WeakPolarHBondContact O-CB 3.39Å; L123-C127 PolarHBondContact O-N 3.12Å; L123-C127 PolarHBondContact O-SG 3.46Å; L123-F132 HydrophobicContact CD2-CE2 4.3Å; L123-F132 HydrophobicContact CD2-CZ 3.83Å; L123-L138 HydrophobicContact CD2-CD1 4.16Å; L123-I142 HydrophobicContact CD1-CD1 3.99Å; L123-I142 HydrophobicContact CD1-CG1 3.59Å; L123-I142 HydrophobicContact CD2-CG1 4.37Å
124Y97.7Very high96.6Very high64 Ų6473.6 Ų73.625%0.25135%0.354SS..Hα-helixtrans-64-45.1176.9-169.2-78.1000111.1R103 Y120 H121 L122 C127 K128R103-Y124 HydrophobicContact CG-CD2 4.41Å; R103-Y124 HydrophobicContact CG-CE2 3.91Å; R103-Y124 PolarHBondContact NE-OH 3.14Å; R103-Y124 PolarHBondContact NH1-OH 3.07Å; Y120-Y124 HydrophobicContact CE1-CD2 4.32Å; Y120-Y124 AromaticContact CZ-CD2 3.89Å; Y120-Y124 VanDerWaalsContact O-CB 3.28Å; Y120-Y124 WeakPolarHBondContact O-CB 3.43Å; Y120-Y124 PolarHBondContact O-N 2.99Å; Y120-Y124 WeakPolarHBondContact OH-CD2 3.35Å; H121-Y124 WeakPolarHBondContact O-CB 3.47Å; H121-Y124 PolarHBondContact O-N 3.27Å; L122-Y124 VanDerWaalsContact C-N 3.27Å; L122-Y124 PolarHBondContact O-N 3.41Å; Y124-C127 WeakPolarHBondContact O-CB 3.34Å; Y124-C127 PolarHBondContact O-N 3.39Å; Y124-K128 PolarHBondContact O-N 3.38Å
125Q97Very high96.6Very high87 Ų8772.7 Ų72.741%0.40735%0.349SS..Hα-helixtrans-66.4-42.1176.1-61.2-60.8-3.600111.6H121 L122 C127 K128 G129H121-Q125 PolarHBondContact O-N 3.44Å; H121-Q125 VanDerWaalsContact O-N 3.1Å; L122-Q125 PolarHBondContact O-N 3.43Å; Q125-C127 VanDerWaalsContact C-N 3.32Å; Q125-C127 PolarHBondContact O-N 2.94Å; Q125-K128 WeakPolarHBondContact O-CA 3.49Å; Q125-K128 WeakPolarHBondContact O-CB 3.46Å; Q125-K128 PolarHBondContact O-N 2.81Å; Q125-K128 VanDerWaalsContact O-N 3.09Å; Q125-G129 PolarHBondContact O-N 3.19Å
126Q96.8Very high96.7Very high58 Ų5881 Ų8127%0.27138%0.38SS..Hα-helixtrans-62-37.7174.6-72.6178.9-27.700112.7L122 L123 G129 N130 Q131 F132L122-Q126 VanDerWaalsContact CD2-CD 3.42Å; L122-Q126 HydrophobicContact CD2-CG 4.24Å; L122-Q126 WeakPolarHBondContact O-CG 3.42Å; L122-Q126 PolarHBondContact O-N 3.19Å; L123-Q126 PolarHBondContact O-N 3.05Å; Q126-G129 CarbonylContact O-C 3.5Å; Q126-G129 PolarHBondContact O-N 3.48Å; Q126-N130 PolarHBondContact O-N 3.02Å; Q126-Q131 HydrophobicContact CB-CB 4.23Å; Q126-Q131 HydrophobicContact CB-CG 4.22Å; Q126-Q131 WeakPolarHBondContact O-CB 3.4Å; Q126-Q131 PolarHBondContact O-N 3.48Å; Q126-Q131 VanDerWaalsContact O-N 3.13Å; Q126-F132 HydrophobicContact CB-CD2 4.44Å; Q126-F132 HydrophobicContact CB-CE2 3.54Å; Q126-F132 HydrophobicContact CB-CZ 4.04Å
127C96.9Very high96.7Very high0 Ų081.7 Ų81.70%039%0.386CS..Hα-helixtrans-61.4-44.5171.5-72.60000111.5M99 L123 Y124 Q125 G129 N130 F132M99-C127 WeakPolarHBondContact CE-O 3.41Å; M99-C127 VanDerWaalsContact SD-O 3.38Å; L123-C127 WeakPolarHBondContact O-CB 3.39Å; L123-C127 PolarHBondContact O-N 3.12Å; L123-C127 PolarHBondContact O-SG 3.46Å; Y124-C127 WeakPolarHBondContact O-CB 3.34Å; Y124-C127 PolarHBondContact O-N 3.39Å; Q125-C127 VanDerWaalsContact C-N 3.32Å; Q125-C127 PolarHBondContact O-N 2.94Å; C127-G129 VanDerWaalsContact C-N 3.28Å; C127-G129 PolarHBondContact O-N 3.33Å; C127-N130 PolarHBondContact O-N 3.18Å; C127-F132 HydrophobicContact CB-CD2 4.31Å; C127-F132 WeakPolarHBondContact SG-CD2 3.28Å
128K96.9Very high96.8Very high132 Ų13274.6 Ų74.657%0.57436%0.355SS*.Hα-helixtrans-60.1-40.3175.7-174.5-175.2175.2-171.90110.9Y124 Q125 N130Y124-K128 PolarHBondContact O-N 3.38Å; Q125-K128 WeakPolarHBondContact O-CA 3.49Å; Q125-K128 WeakPolarHBondContact O-CB 3.46Å; Q125-K128 PolarHBondContact O-N 2.81Å; Q125-K128 VanDerWaalsContact O-N 3.09Å; K128-N130 PolarHBondContact O-N 3.25Å
129G95.9Very high96.8Very high47 Ų4770.1 Ų70.149%0.48534%0.335SS..THydrogen-bonded Turntrans-77.214.1176.300000115.8Q125 Q126 C127 Q131Q125-G129 PolarHBondContact O-N 3.19Å; Q126-G129 CarbonylContact O-C 3.5Å; Q126-G129 PolarHBondContact O-N 3.48Å; C127-G129 VanDerWaalsContact C-N 3.28Å; C127-G129 PolarHBondContact O-N 3.33Å; G129-Q131 PolarHBondContact O-N 3.19Å; G129-Q131 VanDerWaalsContact O-N 3.15Å
130N94.7Very high96.9Very high86 Ų8672.9 Ų72.946%0.4635%0.35SS..THydrogen-bonded Turntrans61.421.3175.2-169.345.4000115.6R98 Q126 C127 K128 F132R98-N130 PolarHBondContact NH1-OD1 2.94Å; R98-N130 PolarHBondContact NH2-OD1 3.05Å; Q126-N130 PolarHBondContact O-N 3.02Å; C127-N130 PolarHBondContact O-N 3.18Å; K128-N130 PolarHBondContact O-N 3.25Å; N130-F132 PolarHBondContact O-N 3.38Å
131Q95.7Very high96.9Very high135 Ų13573.7 Ų73.763%0.63136%0.355SS*.  trans-66.8-26.3178.2-66.7-65.6-37.400112.7Q126 G129Q126-Q131 HydrophobicContact CB-CB 4.23Å; Q126-Q131 HydrophobicContact CB-CG 4.22Å; Q126-Q131 WeakPolarHBondContact O-CB 3.4Å; Q126-Q131 PolarHBondContact O-N 3.48Å; Q126-Q131 VanDerWaalsContact O-N 3.13Å; G129-Q131 PolarHBondContact O-N 3.19Å; G129-Q131 VanDerWaalsContact O-N 3.15Å
132F96.7Very high96.9Very high5 Ų568.4 Ų68.42%0.02233%0.33CS..  trans-108.1115.6-177.8-52-67.3000111.8L102 L123 Q126 C127 N130 V137 L138 H141L102-F132 HydrophobicContact CD1-CB 4.07Å; L102-F132 HydrophobicContact CD2-CB 4.42Å; L123-F132 HydrophobicContact CD2-CE2 4.3Å; L123-F132 HydrophobicContact CD2-CZ 3.83Å; Q126-F132 HydrophobicContact CB-CD2 4.44Å; Q126-F132 HydrophobicContact CB-CE2 3.54Å; Q126-F132 HydrophobicContact CB-CZ 4.04Å; C127-F132 HydrophobicContact CB-CD2 4.31Å; C127-F132 WeakPolarHBondContact SG-CD2 3.28Å; N130-F132 PolarHBondContact O-N 3.38Å; F132-V137 HydrophobicContact CD1-CG1 4.26Å; F132-L138 HydrophobicContact CB-CB 4.22Å; F132-L138 HydrophobicContact CD1-CB 4.11Å; F132-L138 HydrophobicContact CD1-CD1 4.04Å; F132-L138 HydrophobicContact CD2-CD1 3.8Å; F132-L138 HydrophobicContact CE1-CD1 3.91Å; F132-L138 HydrophobicContact CE2-CD1 3.62Å; F132-L138 HydrophobicContact CG-CB 4.05Å; F132-L138 HydrophobicContact CG-CD1 3.99Å; F132-L138 HydrophobicContact CZ-CD1 3.69Å; F132-H141 HydrophobicContact CD1-CB 4.46Å; F132-H141 HydrophobicContact CE1-CB 3.67Å; F132-H141 AromaticContact CE1-CD2 3.75Å; F132-H141 AromaticContact CE1-CG 3.61Å; F132-H141 HydrophobicContact CZ-CB 4.48Å; F132-H141 AromaticContact CZ-CD2 3.76Å
133K95.3Very high96.9Very high165 Ų16569.5 Ų69.572%0.71733%0.333SS*.SBendtrans-71.4-38.9179.5-66-174.9-179.7-179.70113R98R98-K133 WeakPolarHBondContact CD-O 3.43Å
134N96.3Very high96.9Very high77 Ų7776 Ų7641%0.41236%0.361SS..SBendtrans-149.8173.3-17763.641.9000111R136 V137 L138N134-R136 VanDerWaalsContact C-N 3.29Å; N134-R136 PolarHBondContact O-N 3.29Å; N134-R136 WeakPolarHBondContact OD1-CB 3.28Å; N134-R136 PolarHBondContact OD1-N 3.5Å; N134-R136 VanDerWaalsContact OD1-N 3.11Å; N134-V137 PolarHBondContact O-N 3.32Å; N134-V137 VanDerWaalsContact OD1-CG2 3.3Å; N134-V137 WeakPolarHBondContact OD1-CG2 3.43Å; N134-V137 PolarHBondContact OD1-N 3Å; N134-L138 PolarHBondContact O-N 2.91Å
135K97.3Very high96.8Very high88 Ų8876.6 Ų76.638%0.38337%0.365SS..Hα-helixtrans-59.5-37.7-178.5-172-173.3175.3-171.80112.9V101 L105 L138 I139V101-K135 HydrophobicContact CG1-CB 4.12Å; V101-K135 HydrophobicContact CG1-CD 4.22Å; V101-K135 HydrophobicContact CG1-CG 4.35Å; L105-K135 HydrophobicContact CD2-CG 3.77Å; K135-L138 PolarHBondContact O-N 3.21Å; K135-I139 HydrophobicContact CG-CD1 4.11Å; K135-I139 WeakPolarHBondContact O-CG1 3.47Å; K135-I139 PolarHBondContact O-N 3.12Å; K135-I139 VanDerWaalsContact O-N 3.11Å
136R97.4Very high96.7Very high183 Ų18376.9 Ų76.969%0.69137%0.365SS*.Hα-helixtrans-63-50.1-179.5176.9179.6174.2-172.32110.9N134 L138 I139 D140N134-R136 VanDerWaalsContact C-N 3.29Å; N134-R136 PolarHBondContact O-N 3.29Å; N134-R136 WeakPolarHBondContact OD1-CB 3.28Å; N134-R136 PolarHBondContact OD1-N 3.5Å; N134-R136 VanDerWaalsContact OD1-N 3.11Å; R136-L138 VanDerWaalsContact C-N 3.26Å; R136-L138 PolarHBondContact O-N 3.48Å; R136-I139 WeakPolarHBondContact O-CA 3.46Å; R136-I139 WeakPolarHBondContact O-CB 3.5Å; R136-I139 PolarHBondContact O-N 2.97Å; R136-D140 WeakPolarHBondContact CG-OD2 3.48Å; R136-D140 IonicContact NE-OD2 3.85Å; R136-D140 PolarHBondContact O-N 3.38Å
137V97.5Very high96.7Very high58 Ų5877 Ų7735%0.35238%0.376SS..Hα-helixtrans-57.3-39.6178.71770000111.7F132 N134 H141F132-V137 HydrophobicContact CD1-CG1 4.26Å; N134-V137 PolarHBondContact O-N 3.32Å; N134-V137 VanDerWaalsContact OD1-CG2 3.3Å; N134-V137 WeakPolarHBondContact OD1-CG2 3.43Å; N134-V137 PolarHBondContact OD1-N 3Å; V137-H141 WeakPolarHBondContact O-CB 3.5Å; V137-H141 PolarHBondContact O-N 3.43Å
138L97.6Very high96.7Very high0 Ų080.9 Ų80.90%039%0.394CS..Hα-helixtrans-64.9-42.7174.7175.159.2000112.2L102 L105 L106 L123 F132 N134 K135 R136 H141 I142L102-L138 HydrophobicContact CB-CD2 4.16Å; L102-L138 HydrophobicContact CD2-CB 3.94Å; L102-L138 HydrophobicContact CD2-CD2 3.68Å; L102-L138 HydrophobicContact CD2-CG 4.47Å; L102-L138 HydrophobicContact CG-CD2 4.49Å; L105-L138 HydrophobicContact CD2-CD2 3.95Å; L105-L138 HydrophobicContact CD2-CG 4.26Å; L106-L138 HydrophobicContact CD2-CD1 4.27Å; L106-L138 HydrophobicContact CD2-CD2 4.05Å; L106-L138 HydrophobicContact CG-CD2 4.06Å; L123-L138 HydrophobicContact CD2-CD1 4.16Å; F132-L138 HydrophobicContact CB-CB 4.22Å; F132-L138 HydrophobicContact CD1-CB 4.11Å; F132-L138 HydrophobicContact CD1-CD1 4.04Å; F132-L138 HydrophobicContact CD2-CD1 3.8Å; F132-L138 HydrophobicContact CE1-CD1 3.91Å; F132-L138 HydrophobicContact CE2-CD1 3.62Å; F132-L138 HydrophobicContact CG-CB 4.05Å; F132-L138 HydrophobicContact CG-CD1 3.99Å; F132-L138 HydrophobicContact CZ-CD1 3.69Å; N134-L138 PolarHBondContact O-N 2.91Å; K135-L138 PolarHBondContact O-N 3.21Å; R136-L138 VanDerWaalsContact C-N 3.26Å; R136-L138 PolarHBondContact O-N 3.48Å; L138-H141 PolarHBondContact O-N 2.88Å; L138-I142 HydrophobicContact CD1-CD1 3.97Å; L138-I142 HydrophobicContact CD1-CG1 4.21Å; L138-I142 HydrophobicContact CG-CD1 3.98Å; L138-I142 WeakPolarHBondContact O-CD1 3.47Å; L138-I142 VanDerWaalsContact O-CG1 3.23Å; L138-I142 WeakPolarHBondContact O-CG1 3.24Å; L138-I142 PolarHBondContact O-N 2.96Å
139I97.6Very high96.7Very high33 Ų3381.6 Ų81.617%0.16939%0.393CS..Hα-helixtrans-62.6-46.9177.6-68.5169000110.4L105 K135 R136 H141 I142 H143L105-I139 HydrophobicContact CD2-CD1 4.04Å; L105-I139 HydrophobicContact CD2-CG1 3.57Å; K135-I139 HydrophobicContact CG-CD1 4.11Å; K135-I139 WeakPolarHBondContact O-CG1 3.47Å; K135-I139 PolarHBondContact O-N 3.12Å; K135-I139 VanDerWaalsContact O-N 3.11Å; R136-I139 WeakPolarHBondContact O-CA 3.46Å; R136-I139 WeakPolarHBondContact O-CB 3.5Å; R136-I139 PolarHBondContact O-N 2.97Å; I139-H141 VanDerWaalsContact C-N 3.31Å; I139-H141 PolarHBondContact O-N 3.47Å; I139-I142 WeakPolarHBondContact O-CB 3.37Å; I139-I142 PolarHBondContact O-N 3.18Å; I139-I142 VanDerWaalsContact O-N 3.16Å; I139-H143 VanDerWaalsContact CG2-CE1 3.48Å; I139-H143 WeakPolarHBondContact CG2-CE1 3.45Å; I139-H143 PolarHBondContact O-CD2 3.41Å; I139-H143 PolarHBondContact O-N 3.4Å
140D97.5Very high96.6Very high80 Ų8084.2 Ų84.243%0.42840%0.396SS..Hα-helixtrans-60.8-42.2179.8-62.9-20.1000110.9R136 I142 H143 K144R136-D140 WeakPolarHBondContact CG-OD2 3.48Å; R136-D140 IonicContact NE-OD2 3.85Å; R136-D140 PolarHBondContact O-N 3.38Å; D140-I142 PolarHBondContact O-N 2.98Å; D140-H143 PolarHBondContact O-N 3.32Å; D140-K144 PolarHBondContact O-N 2.87Å
141H97.5Very high96.7Very high54 Ų5488.7 Ų88.725%0.2541%0.406CS..Hα-helixtrans-63.1-41.7175.2-173.484.6000112.6F132 V137 L138 I139 H143 K144 K145F132-H141 HydrophobicContact CD1-CB 4.46Å; F132-H141 HydrophobicContact CE1-CB 3.67Å; F132-H141 AromaticContact CE1-CD2 3.75Å; F132-H141 AromaticContact CE1-CG 3.61Å; F132-H141 HydrophobicContact CZ-CB 4.48Å; F132-H141 AromaticContact CZ-CD2 3.76Å; V137-H141 WeakPolarHBondContact O-CB 3.5Å; V137-H141 PolarHBondContact O-N 3.43Å; L138-H141 PolarHBondContact O-N 2.88Å; I139-H141 VanDerWaalsContact C-N 3.31Å; I139-H141 PolarHBondContact O-N 3.47Å; H141-H143 VanDerWaalsContact C-N 3.34Å; H141-K144 PolarHBondContact O-N 3.35Å; H141-K145 WeakPolarHBondContact O-CB 3.2Å; H141-K145 WeakPolarHBondContact O-CG 3.35Å; H141-K145 PolarHBondContact O-N 2.98Å
142I97.3Very high96.8Very high1 Ų185.1 Ų85.11%0.00540%0.399CS..Hα-helixtrans-61.7-44.3175.7-70165.7000110.5L106 Y109 I115 L123 L138 I139 D140 K145 K146L106-I142 HydrophobicContact CD2-CD1 4.13Å; Y109-I142 HydrophobicContact CD2-CD1 4.04Å; Y109-I142 HydrophobicContact CE2-CD1 4.32Å; I115-I142 HydrophobicContact CG2-CG2 3.79Å; L123-I142 HydrophobicContact CD1-CD1 3.99Å; L123-I142 HydrophobicContact CD1-CG1 3.59Å; L123-I142 HydrophobicContact CD2-CG1 4.37Å; L138-I142 HydrophobicContact CD1-CD1 3.97Å; L138-I142 HydrophobicContact CD1-CG1 4.21Å; L138-I142 HydrophobicContact CG-CD1 3.98Å; L138-I142 WeakPolarHBondContact O-CD1 3.47Å; L138-I142 VanDerWaalsContact O-CG1 3.23Å; L138-I142 WeakPolarHBondContact O-CG1 3.24Å; L138-I142 PolarHBondContact O-N 2.96Å; I139-I142 WeakPolarHBondContact O-CB 3.37Å; I139-I142 PolarHBondContact O-N 3.18Å; I139-I142 VanDerWaalsContact O-N 3.16Å; D140-I142 PolarHBondContact O-N 2.98Å; I142-K145 PolarHBondContact O-N 3.45Å; I142-K146 HydrophobicContact CG2-CD 4.07Å; I142-K146 HydrophobicContact CG2-CG 4.33Å; I142-K146 WeakPolarHBondContact O-CB 3.44Å; I142-K146 WeakPolarHBondContact O-CG 3.3Å; I142-K146 PolarHBondContact O-N 2.96Å
143H97.2Very high96.8Very high106 Ų10690.8 Ų90.849%0.49142%0.424SS..Hα-helixtrans-62.3-46179.1-67.9179.2000111.3I139 D140 H141 K145 K146 A147I139-H143 VanDerWaalsContact CG2-CE1 3.48Å; I139-H143 WeakPolarHBondContact CG2-CE1 3.45Å; I139-H143 PolarHBondContact O-CD2 3.41Å; I139-H143 PolarHBondContact O-N 3.4Å; D140-H143 PolarHBondContact O-N 3.32Å; H141-H143 VanDerWaalsContact C-N 3.34Å; H143-K145 PolarHBondContact O-N 3.47Å; H143-K146 PolarHBondContact O-N 2.98Å; H143-A147 WeakPolarHBondContact O-CB 3.36Å; H143-A147 PolarHBondContact O-N 3.4Å
144K97.4Very high96.9Very high136 Ų13687.9 Ų87.959%0.59141%0.413SS*.Hα-helixtrans-58.1-48.8174.9-173.4175.9178.4177.10111.8D140 H141 K146 A147 E148D140-K144 PolarHBondContact O-N 2.87Å; H141-K144 PolarHBondContact O-N 3.35Å; K144-K146 VanDerWaalsContact C-N 3.34Å; K144-K146 PolarHBondContact O-N 3.29Å; K144-A147 PolarHBondContact O-N 3.44Å; K144-E148 VanDerWaalsContact CE-OE1 3.28Å; K144-E148 WeakPolarHBondContact CE-OE1 3.49Å; K144-E148 WeakPolarHBondContact O-CG 3.46Å; K144-E148 PolarHBondContact O-N 3.42Å
145K96.1Very high96.9Very high77 Ų7789 Ų8934%0.33542%0.419SS..Hα-helixtrans-62.7-37.2178.6-77.3-74.1162.9-150.40113.4H141 I142 H143 E148 R149H141-K145 WeakPolarHBondContact O-CB 3.2Å; H141-K145 WeakPolarHBondContact O-CG 3.35Å; H141-K145 PolarHBondContact O-N 2.98Å; I142-K145 PolarHBondContact O-N 3.45Å; H143-K145 PolarHBondContact O-N 3.47Å; K145-E148 IonicContact NZ-OE2 3.61Å; K145-E148 PolarHBondContact NZ-OE2 3.42Å; K145-R149 WeakPolarHBondContact O-CB 3.38Å; K145-R149 PolarHBondContact O-N 2.93Å
146K96.1Very high96.9Very high94 Ų9487.2 Ų87.241%0.40942%0.417SS..Hα-helixtrans-68.4-40.7175.1-75.9-173.467.3167.30112.1K114 I142 H143 K144 R149 L150K114-K146 WeakPolarHBondContact O-CD 3.29Å; K114-K146 WeakPolarHBondContact O-CE 3.18Å; K114-K146 PolarHBondContact O-NZ 3.02Å; I142-K146 HydrophobicContact CG2-CD 4.07Å; I142-K146 HydrophobicContact CG2-CG 4.33Å; I142-K146 WeakPolarHBondContact O-CB 3.44Å; I142-K146 WeakPolarHBondContact O-CG 3.3Å; I142-K146 PolarHBondContact O-N 2.96Å; H143-K146 PolarHBondContact O-N 2.98Å; K144-K146 VanDerWaalsContact C-N 3.34Å; K144-K146 PolarHBondContact O-N 3.29Å; K146-R149 PolarHBondContact O-N 3.42Å; K146-L150 WeakPolarHBondContact O-CB 3.47Å; K146-L150 PolarHBondContact O-N 3.49Å
147A96.9Very high96.9Very high60 Ų6082 Ų8250%0.49640%0.403SS..Hα-helixtrans-63.5-43.9175.700000111.4H143 K144 R149 L150 R151H143-A147 WeakPolarHBondContact O-CB 3.36Å; H143-A147 PolarHBondContact O-N 3.4Å; K144-A147 PolarHBondContact O-N 3.44Å; A147-R149 PolarHBondContact O-N 3.39Å; A147-L150 PolarHBondContact O-N 3Å; A147-R151 WeakPolarHBondContact O-CB 3.49Å; A147-R151 PolarHBondContact O-N 2.99Å
148E96.7Very high96.9Very high82 Ų8285 Ų8538%0.38341%0.413SS..Hα-helixtrans-57-48.1173.4-72.9169.5-169.800111.4K144 K145 R151 A152K144-E148 VanDerWaalsContact CE-OE1 3.28Å; K144-E148 WeakPolarHBondContact CE-OE1 3.49Å; K144-E148 WeakPolarHBondContact O-CG 3.46Å; K144-E148 PolarHBondContact O-N 3.42Å; K145-E148 IonicContact NZ-OE2 3.61Å; K145-E148 PolarHBondContact NZ-OE2 3.42Å; E148-R151 PolarHBondContact O-N 2.99Å; E148-A152 WeakPolarHBondContact O-CB 3.35Å; E148-A152 PolarHBondContact O-N 3.31Å
149R95.1Very high96.8Very high147 Ų14786.9 Ų86.956%0.55543%0.429SS*.Hα-helixtrans-65.4-39.7179.1-173.4174.9-178.9171-0.9112.9D116 K145 K146 A147 A152 K153D116-R149 IonicContact OD1-NH1 3.36Å; D116-R149 PolarHBondContact OD1-NH1 2.95Å; D116-R149 IonicContact OD2-CZ 3.04Å; D116-R149 IonicContact OD2-NH1 3.02Å; D116-R149 PolarHBondContact OD2-NH1 3.19Å; D116-R149 IonicContact OD2-NH2 2.81Å; D116-R149 PolarHBondContact OD2-NH2 2.9Å; K145-R149 WeakPolarHBondContact O-CB 3.38Å; K145-R149 PolarHBondContact O-N 2.93Å; K146-R149 PolarHBondContact O-N 3.42Å; A147-R149 PolarHBondContact O-N 3.39Å; R149-A152 PolarHBondContact O-N 3.16Å; R149-K153 WeakPolarHBondContact O-CB 2.82Å; R149-K153 PolarHBondContact O-N 3.39Å
150L95.9Very high96.8Very high102 Ų10289.4 Ų89.453%0.53444%0.44SS..Hα-helixtrans-63.6-45.1176.718062.5000110.9K146 A147 K153 Q154K146-L150 WeakPolarHBondContact O-CB 3.47Å; K146-L150 PolarHBondContact O-N 3.49Å; A147-L150 PolarHBondContact O-N 3Å; L150-K153 WeakPolarHBondContact O-CB 3.44Å; L150-K153 PolarHBondContact O-N 2.93Å; L150-Q154 WeakPolarHBondContact O-CG 3.36Å; L150-Q154 PolarHBondContact O-N 3.35Å
151R96.7Very high96.7Very high180 Ų18088.1 Ų88.168%0.67944%0.441SS*.Hα-helixtrans-62.5-44.4177-171.6176.7-175.3151.21.3112A147 E148 K153 Q154 L155A147-R151 WeakPolarHBondContact O-CB 3.49Å; A147-R151 PolarHBondContact O-N 2.99Å; E148-R151 PolarHBondContact O-N 2.99Å; R151-K153 VanDerWaalsContact C-N 3.32Å; R151-K153 PolarHBondContact O-N 3.35Å; R151-Q154 PolarHBondContact O-N 2.94Å; R151-L155 HydrophobicContact CG-CD1 4.49Å; R151-L155 WeakPolarHBondContact O-CG 3.32Å; R151-L155 PolarHBondContact O-N 2.94Å; R151-L155 VanDerWaalsContact O-N 3.1Å
152A96.7Very high96.6Very high59 Ų5991.2 Ų91.249%0.48846%0.458SS..Hα-helixtrans-62.1-40.3175.800000112E148 R149 L155 S156E148-A152 WeakPolarHBondContact O-CB 3.35Å; E148-A152 PolarHBondContact O-N 3.31Å; R149-A152 PolarHBondContact O-N 3.16Å; A152-L155 PolarHBondContact O-N 2.79Å; A152-S156 PolarHBondContact O-N 3.39Å
153K96.7Very high96.5Very high125 Ų12598.6 Ų98.654%0.54349%0.486SS..Hα-helixtrans-61.5-50174.7-170.1-168.6173-167.90111.3R149 L150 R151 L155 S156 D157R149-K153 WeakPolarHBondContact O-CB 2.82Å; R149-K153 PolarHBondContact O-N 3.39Å; L150-K153 WeakPolarHBondContact O-CB 3.44Å; L150-K153 PolarHBondContact O-N 2.93Å; R151-K153 VanDerWaalsContact C-N 3.32Å; R151-K153 PolarHBondContact O-N 3.35Å; K153-L155 VanDerWaalsContact C-N 3.29Å; K153-L155 PolarHBondContact O-N 3.34Å; K153-S156 PolarHBondContact O-N 3.34Å; K153-S156 VanDerWaalsContact O-N 3.11Å; K153-D157 WeakPolarHBondContact CE-OD2 3.41Å; K153-D157 WeakPolarHBondContact O-CB 3.37Å; K153-D157 PolarHBondContact O-N 3.21Å
154Q97.3Very high96.4Very high103 Ų10399 Ų9948%0.48149%0.488SS..Hα-helixtrans-56.7-41.4178.8-73.3172.7-30.800112.6L150 R151 Q158L150-Q154 WeakPolarHBondContact O-CG 3.36Å; L150-Q154 PolarHBondContact O-N 3.35Å; R151-Q154 PolarHBondContact O-N 2.94Å; Q154-Q158 WeakPolarHBondContact O-CB 3.31Å; Q154-Q158 WeakPolarHBondContact O-CG 3.31Å; Q154-Q158 PolarHBondContact O-N 3.21Å
155L96.9Very high96.3Very high101 Ų101101.5 Ų101.553%0.52949%0.494SS..Hα-helixtrans-66.5-41.1176.3-70.4168.8000112.4R151 A152 K153 Q158 A159R151-L155 HydrophobicContact CG-CD1 4.49Å; R151-L155 WeakPolarHBondContact O-CG 3.32Å; R151-L155 PolarHBondContact O-N 2.94Å; R151-L155 VanDerWaalsContact O-N 3.1Å; A152-L155 PolarHBondContact O-N 2.79Å; K153-L155 VanDerWaalsContact C-N 3.29Å; K153-L155 PolarHBondContact O-N 3.34Å; L155-Q158 PolarHBondContact O-N 3.39Å; L155-A159 WeakPolarHBondContact O-CB 3.5Å; L155-A159 PolarHBondContact O-N 2.95Å
156S96.7Very high96.3Very high51 Ų51104.7 Ų104.736%0.35751%0.508SS..Hα-helixtrans-63.8-47.2175.5-165.20000111.4A152 K153 Q158 A159 E160A152-S156 PolarHBondContact O-N 3.39Å; K153-S156 PolarHBondContact O-N 3.34Å; K153-S156 VanDerWaalsContact O-N 3.11Å; S156-Q158 VanDerWaalsContact C-N 3.31Å; S156-Q158 PolarHBondContact O-N 3.36Å; S156-A159 PolarHBondContact O-N 3.33Å; S156-E160 WeakPolarHBondContact O-CB 3.32Å; S156-E160 WeakPolarHBondContact O-CG 3.36Å; S156-E160 PolarHBondContact O-N 3.49Å
157D97.5Very high96.3Very high72 Ų72106.9 Ų106.939%0.38552%0.517SS..Hα-helixtrans-60.7-41.7179.3-63.8-9.1000110.3K153 E160 A161K153-D157 WeakPolarHBondContact CE-OD2 3.41Å; K153-D157 WeakPolarHBondContact O-CB 3.37Å; K153-D157 PolarHBondContact O-N 3.21Å; D157-E160 PolarHBondContact O-N 3.18Å; D157-A161 WeakPolarHBondContact O-CB 3.18Å; D157-A161 PolarHBondContact O-N 3.49Å
158Q96.7Very high96.2Very high122 Ų122109.3 Ų109.357%0.5752%0.518SS*.Hα-helixtrans-62.4-46.1173.8-75.8173.61400112.4Q154 L155 S156 A161 L162Q154-Q158 WeakPolarHBondContact O-CB 3.31Å; Q154-Q158 WeakPolarHBondContact O-CG 3.31Å; Q154-Q158 PolarHBondContact O-N 3.21Å; L155-Q158 PolarHBondContact O-N 3.39Å; S156-Q158 VanDerWaalsContact C-N 3.31Å; S156-Q158 PolarHBondContact O-N 3.36Å; Q158-A161 PolarHBondContact O-N 3.18Å; Q158-L162 WeakPolarHBondContact O-CG 3.45Å; Q158-L162 PolarHBondContact O-N 3.28Å
159A96.9Very high96.1Very high40 Ų40108.9 Ų108.933%0.33152%0.524SS..Hα-helixtrans-66.1-36.5178.500000112.4L155 S156 R163L155-A159 WeakPolarHBondContact O-CB 3.5Å; L155-A159 PolarHBondContact O-N 2.95Å; S156-A159 PolarHBondContact O-N 3.33Å; A159-R163 WeakPolarHBondContact O-CB 3.45Å; A159-R163 VanDerWaalsContact O-CG 3.31Å; A159-R163 WeakPolarHBondContact O-CG 3.33Å; A159-R163 PolarHBondContact O-N 3.48Å; A159-R163 PolarHBondContact O-NE 3.31Å
160E96.2Very high96Very high86 Ų86109.1 Ų109.140%0.40253%0.525SS..Hα-helixtrans-66.2-44.5173.3-74178.3-165.100112.1S156 D157 L162 R163 Q164S156-E160 WeakPolarHBondContact O-CB 3.32Å; S156-E160 WeakPolarHBondContact O-CG 3.36Å; S156-E160 PolarHBondContact O-N 3.49Å; D157-E160 PolarHBondContact O-N 3.18Å; E160-L162 VanDerWaalsContact C-N 3.33Å; E160-L162 PolarHBondContact O-N 3.44Å; E160-R163 VanDerWaalsContact CG-NH2 3.26Å; E160-R163 WeakPolarHBondContact O-CB 3.06Å; E160-R163 PolarHBondContact O-N 3.17Å; E160-R163 VanDerWaalsContact O-N 3.12Å; E160-Q164 WeakPolarHBondContact O-CB 3.43Å; E160-Q164 WeakPolarHBondContact O-CG 3.47Å; E160-Q164 PolarHBondContact O-N 3.28Å
161A96.5Very high96Very high53 Ų53108.2 Ų108.244%0.43852%0.52SS..Hα-helixtrans-59.2-42.9175.700000112D157 Q158 Q164 R165D157-A161 WeakPolarHBondContact O-CB 3.18Å; D157-A161 PolarHBondContact O-N 3.49Å; Q158-A161 PolarHBondContact O-N 3.18Å; A161-Q164 PolarHBondContact O-N 3.45Å; A161-R165 WeakPolarHBondContact O-CB 3.37Å; A161-R165 PolarHBondContact O-N 3.48Å
162L94.9Very high95.9Very high119 Ų119104.3 Ų104.362%0.62351%0.513SS*.Hα-helixtrans-63.4-40.6174.4-70.9174.6000112.3Q158 E160 K166Q158-L162 WeakPolarHBondContact O-CG 3.45Å; Q158-L162 PolarHBondContact O-N 3.28Å; E160-L162 VanDerWaalsContact C-N 3.33Å; E160-L162 PolarHBondContact O-N 3.44Å; L162-K166 WeakPolarHBondContact O-CB 3.1Å; L162-K166 PolarHBondContact O-N 3.03Å; L162-K166 VanDerWaalsContact O-N 3.08Å
163R95.5Very high95.8Very high156 Ų156109.2 Ų109.259%0.58952%0.518SS*.Hα-helixtrans-65.3-42.2176-77.2-178.2-72.3-156.54.1112.1A159 E160 K166 K167A159-R163 WeakPolarHBondContact O-CB 3.45Å; A159-R163 VanDerWaalsContact O-CG 3.31Å; A159-R163 WeakPolarHBondContact O-CG 3.33Å; A159-R163 PolarHBondContact O-N 3.48Å; A159-R163 PolarHBondContact O-NE 3.31Å; E160-R163 VanDerWaalsContact CG-NH2 3.26Å; E160-R163 WeakPolarHBondContact O-CB 3.06Å; E160-R163 PolarHBondContact O-N 3.17Å; E160-R163 VanDerWaalsContact O-N 3.12Å; R163-K166 PolarHBondContact O-N 3.27Å; R163-K167 WeakPolarHBondContact O-CB 3.45Å; R163-K167 PolarHBondContact O-N 3.28Å
164Q96.1Very high95.6Very high113 Ų113108 Ų10853%0.52852%0.515SS..Hα-helixtrans-62.7-50.2176.4-74.2175.2-5.400110.9E160 A161 K166 K167 E168E160-Q164 WeakPolarHBondContact O-CB 3.43Å; E160-Q164 WeakPolarHBondContact O-CG 3.47Å; E160-Q164 PolarHBondContact O-N 3.28Å; A161-Q164 PolarHBondContact O-N 3.45Å; Q164-K166 VanDerWaalsContact C-N 3.29Å; Q164-K166 PolarHBondContact O-N 2.93Å; Q164-K167 WeakPolarHBondContact O-CB 3.26Å; Q164-K167 PolarHBondContact O-N 3.3Å; Q164-E168 WeakPolarHBondContact O-CG 3.43Å; Q164-E168 PolarHBondContact O-N 3.34Å
165R95.1Very high95.5Very high189 Ų189107.9 Ų107.971%0.71351%0.514SS*.Hα-helixtrans-55.8-42.1176.1-174.2-179178.2-1740.1112.5A161 S169A161-R165 WeakPolarHBondContact O-CB 3.37Å; A161-R165 PolarHBondContact O-N 3.48Å; R165-S169 WeakPolarHBondContact O-CB 3.32Å; R165-S169 PolarHBondContact O-N 3.25Å
166K95.5Very high95.3Very high145 Ų145110.7 Ų110.763%0.6352%0.518SS*.Hα-helixtrans-68.9-38177.1-170.4173.5-176.6174.70112.2L162 R163 Q164 R170L162-K166 WeakPolarHBondContact O-CB 3.1Å; L162-K166 PolarHBondContact O-N 3.03Å; L162-K166 VanDerWaalsContact O-N 3.08Å; R163-K166 PolarHBondContact O-N 3.27Å; Q164-K166 VanDerWaalsContact C-N 3.29Å; Q164-K166 PolarHBondContact O-N 2.93Å; K166-R170 WeakPolarHBondContact O-CB 3.45Å; K166-R170 PolarHBondContact O-N 2.86Å
167K95.8Very high95Very high140 Ų140112.4 Ų112.461%0.60952%0.523SS*.Hα-helixtrans-66.1-46.8176.2-173.1-177.8178.2-174.80111.1R163 Q164 R170 I171R163-K167 WeakPolarHBondContact O-CB 3.45Å; R163-K167 PolarHBondContact O-N 3.28Å; Q164-K167 WeakPolarHBondContact O-CB 3.26Å; Q164-K167 PolarHBondContact O-N 3.3Å; K167-R170 WeakPolarHBondContact O-CB 3.45Å; K167-R170 PolarHBondContact O-N 2.73Å; K167-I171 HydrophobicContact CG-CD1 4Å; K167-I171 WeakPolarHBondContact O-CG1 3.36Å; K167-I171 PolarHBondContact O-N 3.32Å
168E95.1Very high94.8Very high110 Ų110114.2 Ų114.251%0.51453%0.529SS..Hα-helixtrans-61-45.6176.1-71.7166.5-170.700111.5Q164 R170 I171 N172Q164-E168 WeakPolarHBondContact O-CG 3.43Å; Q164-E168 PolarHBondContact O-N 3.34Å; E168-R170 VanDerWaalsContact C-N 3.28Å; E168-R170 PolarHBondContact O-N 3.34Å; E168-I171 PolarHBondContact O-N 3.49Å; E168-N172 WeakPolarHBondContact O-CB 3.1Å; E168-N172 PolarHBondContact O-N 3.37Å; E168-N172 PolarHBondContact O-OD1 3.3Å
169S93.8Very high94.6Very high73 Ų73113.2 Ų113.251%0.5152%0.524SS..Hα-helixtrans-59.3-38.3174.8-178.80000112.6R165 R173R165-S169 WeakPolarHBondContact O-CB 3.32Å; R165-S169 PolarHBondContact O-N 3.25Å; S169-R173 WeakPolarHBondContact O-CB 3.5Å; S169-R173 PolarHBondContact O-N 2.84Å
170R94.3Very high94.3Very high152 Ų152119.9 Ų119.957%0.57454%0.54SS*.Hα-helixtrans-66.6-47.9175.4-175.7-174.9-63.2176.1-3.4111.7K166 K167 E168 R173 Q174K166-R170 WeakPolarHBondContact O-CB 3.45Å; K166-R170 PolarHBondContact O-N 2.86Å; K167-R170 WeakPolarHBondContact O-CB 3.45Å; K167-R170 PolarHBondContact O-N 2.73Å; E168-R170 VanDerWaalsContact C-N 3.28Å; E168-R170 PolarHBondContact O-N 3.34Å; R170-R173 PolarHBondContact O-N 3.32Å; R170-Q174 WeakPolarHBondContact O-CG 3.18Å; R170-Q174 PolarHBondContact O-N 3.49Å
171I95.7Very high94Very high84 Ų84122.8 Ų122.843%0.43155%0.552SS.*Hα-helixtrans-60.3-47177.9-68.4167.5000109.8K167 E168 R173 Q174 H175K167-I171 HydrophobicContact CG-CD1 4Å; K167-I171 WeakPolarHBondContact O-CG1 3.36Å; K167-I171 PolarHBondContact O-N 3.32Å; E168-I171 PolarHBondContact O-N 3.49Å; I171-R173 VanDerWaalsContact C-N 3.28Å; I171-R173 PolarHBondContact O-N 2.99Å; I171-Q174 PolarHBondContact O-N 3.19Å; I171-Q174 VanDerWaalsContact O-N 3.12Å; I171-H175 WeakPolarHBondContact O-CB 3.32Å; I171-H175 PolarHBondContact O-N 2.88Å
172N93.9Very high93.8Very high98 Ų98126.3 Ų126.352%0.52456%0.557SS.*Hα-helixtrans-64-31.8177.9-66.7-2.6000112.5E168 R176E168-N172 WeakPolarHBondContact O-CB 3.1Å; E168-N172 PolarHBondContact O-N 3.37Å; E168-N172 PolarHBondContact O-OD1 3.3Å; N172-R176 WeakPolarHBondContact O-CB 3.28Å; N172-R176 VanDerWaalsContact O-CG 3.29Å; N172-R176 WeakPolarHBondContact O-CG 3.48Å; N172-R176 PolarHBondContact O-N 3.06Å; N172-R176 VanDerWaalsContact O-N 3.14Å; N172-R176 PolarHBondContact O-NE 3.16Å
173R93.7Very high93.5Very high161 Ų161123.1 Ų123.161%0.60855%0.548SS*.Hα-helixtrans-69.9-42.8172.4-178.2178176.4-117.12.8111.6S169 R170 I171 R176 L177S169-R173 WeakPolarHBondContact O-CB 3.5Å; S169-R173 PolarHBondContact O-N 2.84Å; R170-R173 PolarHBondContact O-N 3.32Å; I171-R173 VanDerWaalsContact C-N 3.28Å; I171-R173 PolarHBondContact O-N 2.99Å; R173-R176 PolarHBondContact O-N 3.16Å; R173-L177 HydrophobicContact CG-CD1 4.27Å; R173-L177 WeakPolarHBondContact O-CG 3.17Å; R173-L177 PolarHBondContact O-N 2.93Å
174Q94.1Very high93.2Very high100 Ų100119.7 Ų119.747%0.46754%0.544SS..Hα-helixtrans-62.2-47.4176.5-73.9172.7-36.300110.8R170 I171 R176 L177 E178R170-Q174 WeakPolarHBondContact O-CG 3.18Å; R170-Q174 PolarHBondContact O-N 3.49Å; I171-Q174 PolarHBondContact O-N 3.19Å; I171-Q174 VanDerWaalsContact O-N 3.12Å; Q174-R176 PolarHBondContact O-N 3.36Å; Q174-L177 PolarHBondContact O-N 2.58Å; Q174-L177 VanDerWaalsContact O-N 3.08Å; Q174-E178 WeakPolarHBondContact O-CG 3.46Å; Q174-E178 PolarHBondContact O-N 3.16Å
175H94Very high92.7Very high100 Ų100118.4 Ų118.446%0.46354%0.54SS..Hα-helixtrans-55-48.9175.4-165.3-90.4000112I171 L177 E178 E179I171-H175 WeakPolarHBondContact O-CB 3.32Å; I171-H175 PolarHBondContact O-N 2.88Å; H175-L177 VanDerWaalsContact C-N 3.32Å; H175-L177 PolarHBondContact O-N 3.31Å; H175-E178 PolarHBondContact O-N 3.2Å; H175-E179 IonicContact CE1-OE1 3.37Å; H175-E179 PolarHBondContact CE1-OE1 3.1Å; H175-E179 IonicContact CE1-OE2 3.34Å; H175-E179 IonicContact ND1-OE1 3.03Å; H175-E179 PolarHBondContact ND1-OE1 3.18Å; H175-E179 IonicContact ND1-OE2 2.7Å; H175-E179 PolarHBondContact ND1-OE2 3.16Å; H175-E179 WeakPolarHBondContact O-CB 3.37Å; H175-E179 WeakPolarHBondContact O-CG 3.47Å; H175-E179 PolarHBondContact O-N 3.15Å
176R92.4Very high92.2Very high160 Ų160115.6 Ų115.660%0.60454%0.535SS*.Hα-helixtrans-61-36.8176.7-75.8-175-64.2176.52.1113.6N172 R173 Q174 R180N172-R176 WeakPolarHBondContact O-CB 3.28Å; N172-R176 VanDerWaalsContact O-CG 3.29Å; N172-R176 WeakPolarHBondContact O-CG 3.48Å; N172-R176 PolarHBondContact O-N 3.06Å; N172-R176 VanDerWaalsContact O-N 3.14Å; N172-R176 PolarHBondContact O-NE 3.16Å; R173-R176 PolarHBondContact O-N 3.16Å; Q174-R176 PolarHBondContact O-N 3.36Å; R176-R180 VanDerWaalsContact O-CB 3.28Å; R176-R180 WeakPolarHBondContact O-CB 3.27Å; R176-R180 PolarHBondContact O-N 3.46Å
177L92.5Very high91.6Very high88 Ų88112 Ų11246%0.46153%0.528SS..Hα-helixtrans-71.4-39.4177.2-72.1172.6000111.5R173 Q174 H175 R180 K181R173-L177 HydrophobicContact CG-CD1 4.27Å; R173-L177 WeakPolarHBondContact O-CG 3.17Å; R173-L177 PolarHBondContact O-N 2.93Å; Q174-L177 PolarHBondContact O-N 2.58Å; Q174-L177 VanDerWaalsContact O-N 3.08Å; H175-L177 VanDerWaalsContact C-N 3.32Å; H175-L177 PolarHBondContact O-N 3.31Å; L177-R180 PolarHBondContact O-N 3.27Å; L177-K181 WeakPolarHBondContact O-CB 3.5Å; L177-K181 PolarHBondContact O-N 3.31Å
178E92.3Very high90.8Very high110 Ų110111.9 Ų111.951%0.51453%0.528SS..Hα-helixtrans-66.3-45.2175.4-72.6170.5-163.400111.6Q174 H175 K181 K182Q174-E178 WeakPolarHBondContact O-CG 3.46Å; Q174-E178 PolarHBondContact O-N 3.16Å; H175-E178 PolarHBondContact O-N 3.2Å; E178-K181 PolarHBondContact O-N 2.93Å; E178-K182 WeakPolarHBondContact O-CB 3.25Å; E178-K182 WeakPolarHBondContact O-CG 3.43Å; E178-K182 PolarHBondContact O-N 3.33Å
179E91.9Very high90Very high100 Ų100111.2 Ų111.247%0.46753%0.528SS..Hα-helixtrans-59-45.4172.5-74.7177.3137.300111.3H175 K181 K182 A183H175-E179 IonicContact CE1-OE1 3.37Å; H175-E179 PolarHBondContact CE1-OE1 3.1Å; H175-E179 IonicContact CE1-OE2 3.34Å; H175-E179 IonicContact ND1-OE1 3.03Å; H175-E179 PolarHBondContact ND1-OE1 3.18Å; H175-E179 IonicContact ND1-OE2 2.7Å; H175-E179 PolarHBondContact ND1-OE2 3.16Å; H175-E179 WeakPolarHBondContact O-CB 3.37Å; H175-E179 WeakPolarHBondContact O-CG 3.47Å; H175-E179 PolarHBondContact O-N 3.15Å; E179-K181 PolarHBondContact O-N 2.96Å; E179-K182 PolarHBondContact O-N 3.26Å; E179-A183 WeakPolarHBondContact O-CB 3.4Å; E179-A183 PolarHBondContact O-N 3.36Å
180R90.7Very high89.1Confident180 Ų180110.2 Ų110.268%0.67952%0.524SS*.Hα-helixtrans-62.5-41.1175.9-173.7178.1176.4-177.3-0.9111.9R176 L177 A183 V184R176-R180 VanDerWaalsContact O-CB 3.28Å; R176-R180 WeakPolarHBondContact O-CB 3.27Å; R176-R180 PolarHBondContact O-N 3.46Å; L177-R180 PolarHBondContact O-N 3.27Å; R180-A183 PolarHBondContact O-N 3.3Å; R180-V184 VanDerWaalsContact O-CG2 3.25Å; R180-V184 WeakPolarHBondContact O-CG2 3.37Å; R180-V184 PolarHBondContact O-N 2.94Å
181K91.1Very high87.7Confident147 Ų147106.1 Ų106.164%0.63952%0.523SS*.Hα-helixtrans-64.6-44.2177.1-173.6179.5178.4-177.10111.2L177 E178 E179 V184 I185L177-K181 WeakPolarHBondContact O-CB 3.5Å; L177-K181 PolarHBondContact O-N 3.31Å; E178-K181 PolarHBondContact O-N 2.93Å; E179-K181 PolarHBondContact O-N 2.96Å; K181-V184 PolarHBondContact O-N 3.19Å; K181-I185 HydrophobicContact CG-CD1 4.12Å; K181-I185 VanDerWaalsContact O-CG1 3.3Å; K181-I185 WeakPolarHBondContact O-CG1 3.39Å; K181-I185 PolarHBondContact O-N 3.49Å
182K91.2Very high86.1Confident128 Ų128106.8 Ų106.856%0.55753%0.531SS*.Hα-helixtrans-60.5-48.5174.6-73175.9-178.7179.50111.3E178 E179 V184 I185 E186E178-K182 WeakPolarHBondContact O-CB 3.25Å; E178-K182 WeakPolarHBondContact O-CG 3.43Å; E178-K182 PolarHBondContact O-N 3.33Å; E179-K182 PolarHBondContact O-N 3.26Å; K182-V184 VanDerWaalsContact C-N 3.33Å; K182-V184 PolarHBondContact O-N 3.01Å; K182-I185 PolarHBondContact O-N 3.26Å; K182-I185 VanDerWaalsContact O-N 3.16Å; K182-E186 WeakPolarHBondContact O-CB 3.23Å; K182-E186 WeakPolarHBondContact O-CG 3.42Å; K182-E186 PolarHBondContact O-N 2.96Å
183A89.2Confident84.4Confident51 Ų51105.9 Ų105.942%0.42154%0.537SS..Hα-helixtrans-61.1-3817800000113E179 R180 S187E179-A183 WeakPolarHBondContact O-CB 3.4Å; E179-A183 PolarHBondContact O-N 3.36Å; R180-A183 PolarHBondContact O-N 3.3Å; A183-S187 VanDerWaalsContact O-CB 3.31Å; A183-S187 WeakPolarHBondContact O-CB 3.45Å; A183-S187 PolarHBondContact O-N 3.49Å; A183-S187 PolarHBondContact O-OG 3.43Å
184V88.5Confident82.2Confident84 Ų84106.6 Ų106.651%0.50954%0.544SS..Hα-helixtrans-65.7-44.5174.6170.20000111.1R180 K181 K182 S187 F188R180-V184 VanDerWaalsContact O-CG2 3.25Å; R180-V184 WeakPolarHBondContact O-CG2 3.37Å; R180-V184 PolarHBondContact O-N 2.94Å; K181-V184 PolarHBondContact O-N 3.19Å; K182-V184 VanDerWaalsContact C-N 3.33Å; K182-V184 PolarHBondContact O-N 3.01Å; V184-S187 WeakPolarHBondContact CA-OG 3.24Å; V184-S187 PolarHBondContact O-N 3.46Å; V184-S187 PolarHBondContact O-OG 2.82Å; V184-F188 WeakPolarHBondContact O-CB 3.37Å; V184-F188 PolarHBondContact O-N 3.25Å
185I85.6Confident79.7Confident86 Ų86106.5 Ų106.544%0.44155%0.552SS.*Hα-helixtrans-63-44.6176.8-66.8164.8000110.7K181 K182 S187 F188 N189K181-I185 HydrophobicContact CG-CD1 4.12Å; K181-I185 VanDerWaalsContact O-CG1 3.3Å; K181-I185 WeakPolarHBondContact O-CG1 3.39Å; K181-I185 PolarHBondContact O-N 3.49Å; K182-I185 PolarHBondContact O-N 3.26Å; K182-I185 VanDerWaalsContact O-N 3.16Å; I185-S187 PolarHBondContact O-N 3.42Å; I185-F188 PolarHBondContact O-N 2.81Å; I185-N189 WeakPolarHBondContact O-CB 3.47Å; I185-N189 VanDerWaalsContact O-CG 3.24Å; I185-N189 PolarHBondContact O-N 3.02Å; I185-N189 PolarHBondContact O-ND2 3.48Å
186E84.8Confident77Confident131 Ų131107.9 Ų107.961%0.61257%0.568SS**Hα-helixtrans-61.7-41.8175.1-75.7170.9-16800111.9K182 F188 N189 A190K182-E186 WeakPolarHBondContact O-CB 3.23Å; K182-E186 WeakPolarHBondContact O-CG 3.42Å; K182-E186 PolarHBondContact O-N 2.96Å; E186-F188 PolarHBondContact O-N 3.39Å; E186-N189 PolarHBondContact O-N 3.29Å; E186-A190 VanDerWaalsContact O-CB 3.27Å; E186-A190 WeakPolarHBondContact O-CB 3.44Å; E186-A190 PolarHBondContact O-N 3.06Å
187S82.5Confident74.9Confident70 Ų70107 Ų10749%0.4958%0.581SS.*Hα-helixtrans-64.9-37.9176.273.40000112.7A183 V184 I185 A190 A191A183-S187 VanDerWaalsContact O-CB 3.31Å; A183-S187 WeakPolarHBondContact O-CB 3.45Å; A183-S187 PolarHBondContact O-N 3.49Å; A183-S187 PolarHBondContact O-OG 3.43Å; V184-S187 WeakPolarHBondContact CA-OG 3.24Å; V184-S187 PolarHBondContact O-N 3.46Å; V184-S187 PolarHBondContact O-OG 2.82Å; I185-S187 PolarHBondContact O-N 3.42Å; S187-A190 PolarHBondContact O-N 3.31Å; S187-A191 WeakPolarHBondContact O-CB 3.29Å; S187-A191 PolarHBondContact O-N 3.49Å
188F79.3Confident72.4Confident137 Ų137108.4 Ų108.460%0.60160%0.595SS**Hα-helixtrans-68.2-44.3175.8-176.3-97.1000111V184 I185 E186 A190 A191 V192V184-F188 WeakPolarHBondContact O-CB 3.37Å; V184-F188 PolarHBondContact O-N 3.25Å; I185-F188 PolarHBondContact O-N 2.81Å; E186-F188 PolarHBondContact O-N 3.39Å; F188-A190 VanDerWaalsContact C-N 3.33Å; F188-A190 PolarHBondContact O-N 3.12Å; F188-A191 PolarHBondContact O-N 2.88Å; F188-V192 HydrophobicContact CD1-CG2 4.2Å; F188-V192 HydrophobicContact CE1-CG2 3.83Å; F188-V192 HydrophobicContact CE2-CG2 4.35Å; F188-V192 HydrophobicContact CZ-CG2 3.92Å; F188-V192 WeakPolarHBondContact O-CG2 3.46Å; F188-V192 PolarHBondContact O-N 2.89Å
189N78.9Confident69.9Low95 Ų95109.6 Ų109.651%0.50861%0.609SS.*Hα-helixtrans-62.2-40.5174.8-70.6-17.8000111.5I185 E186 V192 A193I185-N189 WeakPolarHBondContact O-CB 3.47Å; I185-N189 VanDerWaalsContact O-CG 3.24Å; I185-N189 PolarHBondContact O-N 3.02Å; I185-N189 PolarHBondContact O-ND2 3.48Å; E186-N189 PolarHBondContact O-N 3.29Å; N189-V192 PolarHBondContact O-N 2.7Å; N189-A193 WeakPolarHBondContact O-CB 3.33Å; N189-A193 PolarHBondContact O-N 2.91Å
190A74.8Confident67.6Low52 Ų52109.8 Ų109.843%0.4363%0.628SS.*Hα-helixtrans-68.5-31.8175.900000113E186 S187 F188 K194E186-A190 VanDerWaalsContact O-CB 3.27Å; E186-A190 WeakPolarHBondContact O-CB 3.44Å; E186-A190 PolarHBondContact O-N 3.06Å; S187-A190 PolarHBondContact O-N 3.31Å; F188-A190 VanDerWaalsContact C-N 3.33Å; F188-A190 PolarHBondContact O-N 3.12Å; A190-K194 WeakPolarHBondContact O-CG 3.39Å
191A64.3Low65.4Low67 Ų67109.5 Ų109.555%0.55463%0.634SS**Hα-helixtrans-73.7-40.317500000112.1S187 F188 K194S187-A191 WeakPolarHBondContact O-CB 3.29Å; S187-A191 PolarHBondContact O-N 3.49Å; F188-A191 PolarHBondContact O-N 2.88Å; A191-K194 PolarHBondContact O-N 3Å
192V62.5Low63Low98 Ų98112 Ų11259%0.59465%0.645SS**Hα-helixtrans-71.3-32.7176.2174.20000111.6F188 N189 K194F188-V192 HydrophobicContact CD1-CG2 4.2Å; F188-V192 HydrophobicContact CE1-CG2 3.83Å; F188-V192 HydrophobicContact CE2-CG2 4.35Å; F188-V192 HydrophobicContact CZ-CG2 3.92Å; F188-V192 WeakPolarHBondContact O-CG2 3.46Å; F188-V192 PolarHBondContact O-N 2.89Å; N189-V192 PolarHBondContact O-N 2.7Å; V192-K194 PolarHBondContact O-N 3.15Å
193A58.5Low60.7Low79 Ų79111.3 Ų111.365%0.65365%0.654SS**THydrogen-bonded Turntrans-792.6176.700000114.4N189N189-A193 WeakPolarHBondContact O-CB 3.33Å; N189-A193 PolarHBondContact O-N 2.91Å
194K47.7Very low58.3Low176 Ų176115 Ų11577%0.76567%0.671SS**  trans-120.581.5176.5-73.9-175.3178.9-173.80112.6A190 A191 V192A190-K194 WeakPolarHBondContact O-CG 3.39Å; A191-K194 PolarHBondContact O-N 3Å; V192-K194 PolarHBondContact O-N 3.15Å
195P40.2Very low56.3Low97 Ų97116.2 Ų116.263%0.6368%0.681SS**  trans-90.3142.2151.233.9-25.5000109.8
196T39Very low54.5Low130 Ų130116.9 Ų116.980%0.79869%0.693SS**  trans71.899.7162.363.80000118.6
197T46.8Very low52.9Low142 Ų142116.1 Ų116.187%0.87170%0.697SS**  -176.113011819.80000111.1
198P40.7Very low51.2Low117 Ų117120.5 Ų120.576%0.7671%0.71SS**  trans-97.7151.1-174.236.9-31.6000113.8
199V39Very low49.7Very low134 Ų134119 Ų11981%0.81271%0.712SS**  trans62111.5146.2-177.30000118.7
200A43.4Very low48.3Very low104 Ų104123.5 Ų123.586%0.8673%0.727SS**  trans-160.6137140.800000111.2
201Q46.4Very low47Very low175 Ų175126.7 Ų126.782%0.81874%0.743SS**  trans-96.4144.1-169.6-62.8170-11.200112.7
202K40.1Very low45.7Very low200 Ų200133 Ų13387%0.8776%0.758SS**  trans57.8161.7149.6-81.7-178.6176.9178.90118.9
203P42Very low45.3Very low113 Ų113136.2 Ų136.273%0.73477%0.77SS**  cis-132.7179.3-0.926.6-1.5000115.9
204T39.9Very low44.6Very low127 Ų127140.8 Ų140.878%0.77978%0.778SS**  trans-46175.9163.947.70000116.2
205P45.5Very low44.1Very low110 Ų110137.1 Ų137.171%0.71478%0.781SS**  cis-144.3-170.79.134.9-10.2000117.1
206S47.7Very low44.2Very low100 Ų100142.6 Ų142.670%0.69979%0.794SS**  trans92111.6146.3-730000121
207V52.4Low44.3Very low115 Ų115142.7 Ų142.770%0.69780%0.795SS**  86.8117.6105.2176.10000109.6
208E46.9Very low44.1Very low163 Ų163140.5 Ų140.576%0.76279%0.792SS**  179.9143.966-141.8149.7-151.900112.2
209T46.4Very low44.3Very low104 Ų104141 Ų14164%0.63879%0.794SS**  trans60.2111141.849.30000123.2
210K50.1Low44.5Very low191 Ų191139.2 Ų139.283%0.8379%0.794SS**  84.8155.789.8-80.8-175.5-173.3175.50114.1
211P48.4Very low44.7Very low118 Ų118140.1 Ų140.177%0.76679%0.794SS**  cis-134.9168.9-6.928.3-4.6000116.1
212K36.6Very low44.9Very low199 Ų199138 Ų13887%0.86579%0.793SS**PPolyproline II helixtrans-81129.2174.3-176.3173.5-176.9175.50110.4
213I53.3Low45.1Very low167 Ų167134.1 Ų134.186%0.85679%0.788SS**PPolyproline II helixtrans-99.6126.3170.9-66.3175.8000109.4
214E44.2Very low45.4Very low175 Ų175133.5 Ų133.582%0.81879%0.792SS**PPolyproline II helixtrans-77.3146.2-172.4-64.5171.3147.200113.1
215A37.6Very low45.4Very low99 Ų99133.2 Ų133.282%0.81879%0.792SS**PPolyproline II helixtrans-71.3123.2169.800000110.3
216K42.4Very low45.4Very low211 Ų211134.6 Ų134.692%0.91780%0.799SS**PPolyproline II helixtrans-86118.7167.8-89.9-178.8176.1177.10110.8
217T40.9Very low45.3Very low133 Ų133135.8 Ų135.882%0.81680%0.801SS**PPolyproline II helixtrans-64144166.532.10000112.4
218A41.5Very low44.6Very low96 Ų96136.1 Ų136.179%0.79380%0.804SS**PPolyproline II helixtrans-75.1159162.800000110.6
219P46.9Very low44.3Very low126 Ų126133.7 Ų133.782%0.81880%0.802SS**  trans-132.3133.813432.8-20000112.5
220A41.3Very low43.7Very low97 Ų97135.5 Ų135.580%0.80281%0.813SS**  trans-70.3141.815900000109.9
221S48.3Very low43.2Very low123 Ų123132 Ų13286%0.8681%0.813SS**  trans-137.2137.8152710000109
222V51.4Low43Very low131 Ų131135.2 Ų135.279%0.79482%0.818SS**  trans-103-176.4-169-141.70000108.3
223P42.7Very low43.4Very low119 Ų119131.9 Ų131.977%0.77382%0.816SS**  -112.5171.1-123.737.8-18.5000113.9
224A50.2Low42.9Very low99 Ų99129.4 Ų129.482%0.81881%0.814SS**  trans-153.4135153.600000111.3
225P38.9Very low42.6Very low121 Ų121125.9 Ų125.979%0.78682%0.815SS**  trans-94.3146.8-177.636.6-31.1000111.1
226V46.6Very low42.8Very low139 Ų139125.6 Ų125.684%0.84281%0.812SS**  trans-166.7113.1150.6160.70000109.9
227V43.8Very low42.4Very low125 Ų125125.8 Ų125.876%0.75881%0.813SS**  trans57.4120134.2-166.30000121.4
228T39.2Very low42.5Very low123 Ų123125.8 Ų125.876%0.75581%0.813SS**  trans-41.7161.2164.447.30000116.7
229P40.8Very low42.5Very low112 Ų112130.1 Ų130.173%0.72782%0.817SS**  cis-151.3162.842.538.4-15.3000120.2
230T32Very low42.8Very low141 Ų141130.1 Ų130.187%0.86581%0.814SS**  trans38.3102.2145.3-46.40000119.8
231S40.4Very low43.1Very low117 Ų117131.3 Ų131.382%0.81881%0.813SS**  trans-155150.9146.663.20000111
232Q44.8Very low42.8Very low187 Ų187132.1 Ų132.187%0.87481%0.813SS**  trans-63.6149.2-169.1-58.5166.6-15.600113.3
233P44.3Very low42.9Very low129 Ų129135.6 Ų135.684%0.83882%0.818SS**  trans-96.2114.2160.130.6-20.8000110.6
234S43Very low42.9Very low115 Ų115135.6 Ų135.680%0.80482%0.818SS**PPolyproline II helixtrans-54.5147.5157.6178.30000110.9A236S234-A236 PolarHBondContact O-N 3.47Å
235A38Very low42.6Very low101 Ų101135.4 Ų135.484%0.83582%0.816SS**PPolyproline II helixtrans-68.8120.7-175.600000111.9
236A41.7Very low43.6Very low93 Ų93135.1 Ų135.177%0.76981%0.814SS**PPolyproline II helixtrans-100.6126.2165.100000109.9S234S234-A236 PolarHBondContact O-N 3.47Å
237K34.4Very low43.5Very low214 Ų214134.5 Ų134.593%0.9381%0.813SS**  trans-45.2129.6173.2-90.1161.6164.9173.10111.8
238V43.4Very low43.4Very low134 Ų134138.5 Ų138.581%0.81282%0.821SS**  trans-116.9115157.6176.80000107.2
239E39.9Very low43.9Very low187 Ų187139.2 Ų139.287%0.87482%0.824SS**  trans-71130.3178-153.6165.9-168.300109.4
240V54.7Low43.9Very low126 Ų126138.5 Ų138.576%0.76483%0.828SS**  trans-105.6126.5-178.7175.80000108.3
241P47Very low44.8Very low121 Ų121137 Ų13779%0.78682%0.823SS**  trans-76.4140.5176.130.4-31.5000111.4
242T41.8Very low44.9Very low140 Ų140141.7 Ų141.786%0.85983%0.829SS**  trans-68.2141.2-178.336.80000113.3
243K53.5Low45.5Very low205 Ų205139.3 Ų139.389%0.89183%0.827SS**  trans-140.5153.3159.8-112-149.7166.2172.60109.7
244P41.9Very low46.4Very low118 Ų118137.4 Ų137.477%0.76682%0.822SS**PPolyproline II helixtrans-92.5160.8-146.510.99.1000113.5
245A45.4Very low47.7Very low96 Ų96137.6 Ų137.679%0.79382%0.82SS**PPolyproline II helixtrans-72.7145.8-174.300000114.3
246P58.9Low49.1Very low114 Ų114138.3 Ų138.374%0.7482%0.817SS**PPolyproline II helixtrans-89.8161.5161.935.2-29.8000111.8
247P45.2Very low50.2Low126 Ų126139.9 Ų139.982%0.81882%0.819SS**PPolyproline II helixtrans-77.1151.9-161.831.3-34000113.7
248K41.2Very low51.4Low210 Ų210139.6 Ų139.691%0.91382%0.817SS**PPolyproline II helixtrans-72.1120.4-178.3-67.3174.3178175.10111
249V49.9Very low52.4Low138 Ų138140.6 Ų140.684%0.83682%0.817SS**  trans-117122.2154.5-178.50000107.6
250A40.8Very low53.2Low96 Ų96137 Ų13779%0.79381%0.81SS**  trans-74.2132.4-175.700000111.4
251S50.4Low53.3Low111 Ų111137.7 Ų137.778%0.77681%0.814SS**  trans-147.7109.3155.5-25.60000108.4V253S251-V253 PolarHBondContact O-N 3.32Å
252K43Very low53.8Low215 Ų215136.6 Ų136.694%0.93582%0.815SS**  trans-61.9112.6177-76.2169.6171.6173.70110.1
253V56.7Low54.6Low137 Ų137139.6 Ų139.683%0.8382%0.816SS**  trans-137.6116.8157.8-179.10000108.1S251S251-V253 PolarHBondContact O-N 3.32Å
254A64Low55.2Low89 Ų89136 Ų13674%0.73681%0.812SS**PPolyproline II helixtrans-67.4142.5-175.600000112.1
255P69.3Low56.2Low118 Ų118136 Ų13677%0.76681%0.812SS**PPolyproline II helixtrans-75.4146.2174.730.6-32.3000111.3
256P68.6Low57.4Low117 Ų117136.1 Ų136.176%0.7681%0.813SS**PPolyproline II helixtrans-69.5152.5-179.228.3-34.4000112.6
257P65Low58Low125 Ų125135.1 Ų135.181%0.81281%0.814SS**PPolyproline II helixtrans-70.7142.7-174.428.9-33.9000112.4I259P257-I259 PolarHBondContact O-N 3.33Å
258K59.4Low59.4Low208 Ų208134.7 Ų134.790%0.90481%0.811SS**  trans-69.6115.7176.2-70.9176.5179.7174.40110.1
259I64.5Low60.9Low155 Ų155130.4 Ų130.480%0.79581%0.805SS**  trans-70.5131.4171.3-58169.2000108.6P257 T261P257-I259 PolarHBondContact O-N 3.33Å; I259-T261 PolarHBondContact O-N 3.08Å
260P56.1Low62Low112 Ų112133.7 Ų133.773%0.72781%0.808SS**  trans-71.112717727.6-31.2000110.3A262P260-A262 PolarHBondContact O-N 3.27Å; P260-A262 VanDerWaalsContact O-N 3.17Å
261T57.4Low63.4Low141 Ų141136.5 Ų136.587%0.86581%0.808SS**  trans-65111.8172.337.30000109.9I259 K263I259-T261 PolarHBondContact O-N 3.08Å; T261-K263 PolarHBondContact O-N 3.16Å
262A55.9Low64.3Low97 Ų97136.6 Ų136.680%0.80281%0.806SS**PPolyproline II helixtrans-58.2132.4173.800000111.1P260 T264P260-A262 PolarHBondContact O-N 3.27Å; P260-A262 VanDerWaalsContact O-N 3.17Å; A262-T264 PolarHBondContact O-N 2.97Å
263K59.7Low65.6Low203 Ų203135 Ų13588%0.88380%0.802SS**PPolyproline II helixtrans-47.5129176.5-73173.8174.5178.30111.7T261T261-K263 PolarHBondContact O-N 3.16Å
264T66.3Low65.9Low130 Ų130134.7 Ų134.780%0.79880%0.803SS**PPolyproline II helixtrans-50.9129.5166.2-47.20000110A262A262-T264 PolarHBondContact O-N 2.97Å
265P62.8Low65.5Low118 Ų118134 Ų13477%0.76680%0.804SS**PPolyproline II helixtrans-69.5136.3175.127.1-30.2000110.1
266A69.7Low64.2Low99 Ų99134.2 Ų134.282%0.81881%0.809SS**PPolyproline II helixtrans-54.7144.1179.700000112.5
267A73.2Confident63.4Low93 Ų93132.6 Ų132.677%0.76981%0.805SS**PPolyproline II helixtrans-63.8139.3175.800000110.8
268P73.9Confident62.8Low116 Ų116136 Ų13675%0.75381%0.807SS**PPolyproline II helixtrans-66.6147.9175.927.5-33.2000111.3
269P72.8Confident62.1Low121 Ų121132 Ų13279%0.78681%0.806SS**PPolyproline II helixtrans-63.5136.8-178.725.3-32.9000111.5I271P269-I271 PolarHBondContact O-N 3.18Å
270K72.5Confident61.5Low207 Ų207129.3 Ų129.390%0.981%0.806SS**PPolyproline II helixtrans-64.1121172.1-84.9179.5175.2179.60109.3
271I70.6Confident61.2Low154 Ų154129.8 Ų129.879%0.7981%0.812SS**PPolyproline II helixtrans-72.5130.2167.1-58.4167000107.1P269P269-I271 PolarHBondContact O-N 3.18Å
272P69.4Low61.1Low114 Ų114128.7 Ų128.774%0.7481%0.811SS**PPolyproline II helixtrans-70.2132.4175.426.6-29.8000110.5
273E70.7Confident61.1Low181 Ų181133.4 Ų133.485%0.84681%0.813SS**PPolyproline II helixtrans-69.1141171.5-64.7-170.9160.300109.9G275E273-G275 PolarHBondContact O-N 3.01Å
274P62.4Low60.9Low131 Ų131132.8 Ų132.885%0.85181%0.81SS**  trans-70.6105.5175.928.1-30.8000109.2S276P274-S276 PolarHBondContact O-N 3.04Å; P274-S276 VanDerWaalsContact O-N 3.16Å
275G54.8Low60.4Low74 Ų74131.6 Ų131.676%0.76381%0.805SS**  trans-62.7110.8172.800000110.9E273 A277E273-G275 PolarHBondContact O-N 3.01Å; G275-A277 PolarHBondContact O-N 3.16Å
276S43.1Very low60Low122 Ų122132.6 Ų132.685%0.85381%0.809SS**  trans-61.5107158.7530000109.3P274P274-S276 PolarHBondContact O-N 3.04Å; P274-S276 VanDerWaalsContact O-N 3.16Å
277A52Low59.6Low83 Ų83137.8 Ų137.869%0.68681%0.813SS**  trans-151.2109.2166.700000112G275G275-A277 PolarHBondContact O-N 3.16Å
278K52.5Low58.8Low197 Ų197148.8 Ų148.886%0.85784%0.835SS**  trans75.595.9142.5-61.9-177.7179.2-179.70117.9A280K278-A280 PolarHBondContact O-N 3.23Å
279S44.2Very low58.1Low125 Ų125150.5 Ų150.587%0.87484%0.839SS**  trans-36.4119.7138.150.70000112.3
280A51.8Low57.3Low98 Ų98152 Ų15281%0.8184%0.842SS**  trans-129.8109.9156.500000107.2K278K278-A280 PolarHBondContact O-N 3.23Å
281S49.9Very low56.5Low122 Ų122148.9 Ų148.985%0.85384%0.838SS**  trans-71130.6172.161.80000110.1
282S54.9Low55.6Low118 Ų118148.6 Ų148.683%0.82584%0.841SS**  trans-143.7114.3148.658.10000110.8
283K54.8Low54.8Low196 Ų196150.8 Ų150.885%0.85285%0.847SS**  trans-41.4152153.8-63.9166.6175.2174.50109.1
284K56.7Low53.7Low189 Ų189148.8 Ų148.882%0.82285%0.848SS**  cis177.4-16925.1-128.1-172.5177.2-179.10103.5
285P55.3Low53.1Low106 Ų106150.1 Ų150.169%0.68885%0.847SS**  cis-126.1167.2-43.829.2-9.8000112.7
286T55.2Low52.9Low139 Ų139155.9 Ų155.985%0.85385%0.854SS**  trans-52.2142.4162420000114.8
287K60.6Low53.8Low207 Ų207158.8 Ų158.890%0.985%0.854SS**  trans-153.8127.5151.9-146.2176.7-173-178.40111.7
288R57.2Low53.9Low325 Ų325165.6 Ų165.6100%1.22687%0.869SS**  trans71.50176.7-88.5-175.2167.9-156.7-3.4118.2

Retrieved 288 of 288 residues in 561.8 ms (Link to these results)

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